Header list of 1uua.pdb file
Complete list - n 17 2 Bytes
HEADER INHIBITOR 17-DEC-03 1UUA
TITLE SOLUTION STRUCTURE OF A TRUNCATED BOVINE PANCREATIC TRYPSIN INHIBITOR,
TITLE 2 3-58 BPTI.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BOVINE PANCREATIC TRYPSIN INHIBITOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PANCREATIC TRYPSIN INHIBITOR, RESIDUES 38-93;
COMPND 5 SYNONYM: BASIC PROTEASE INHIBITOR, BPI, BPTI, APROTININ;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_TAXID: 9913;
SOURCE 4 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 4932;
SOURCE 6 OTHER_DETAILS: SYNTHETIC GENE
KEYWDS INHIBITOR, SERINE PROTEASE INHIBITOR, PHARMACEUTICAL, 3D-STRUCT
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR W.ZHANG,C.B.NIELSEN,P.E.HANSEN
REVDAT 3 17-JAN-18 1UUA 1 TITLE
REVDAT 2 24-FEB-09 1UUA 1 VERSN
REVDAT 1 29-JAN-04 1UUA 0
JRNL AUTH W.ZHANG,C.B.NIELSEN,P.E.HANSEN
JRNL TITL NMR SOLUTION STRUCTURES OF MODIFIES AND TRUNCATED BOVINE
JRNL TITL 2 PANCREATIC TRYPSIN INHIBITOR PROTEINS (3-58 BPTI'S)
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.0
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UUA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 17-DEC-03.
REMARK 100 THE DEPOSITION ID IS D_1290014233.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 4.6
REMARK 210 IONIC STRENGTH : 0
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY; NOESY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : MNMR, PRONTO
REMARK 210 METHOD USED : DISTANCE GEOMETRY
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 150
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION &
REMARK 210 LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 2D PROTON NMR
REMARK 210 SPECTROSCOPY ON UNLABELED 3-58 BPTI
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 400
REMARK 400 COMPOUND
REMARK 400 FUNCTION: INHIBITS TRYPSIN, KALLIKREIN, CHYMOTRYPSIN, AND PLASMIN.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 HA ILE A 17 HA VAL A 32 1.27
REMARK 500 H ARG A 18 O PHE A 31 1.31
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 CYS A 3 -51.07 -128.93
REMARK 500 1 TYR A 8 45.90 -107.80
REMARK 500 1 LYS A 13 108.28 -179.16
REMARK 500 1 ALA A 14 -141.82 -76.66
REMARK 500 1 ARG A 15 46.10 -104.45
REMARK 500 1 ARG A 37 -72.06 -97.34
REMARK 500 1 ALA A 38 117.95 47.55
REMARK 500 1 ASN A 41 76.57 -69.98
REMARK 500 2 PHE A 2 -161.13 -104.85
REMARK 500 2 CYS A 3 -47.26 73.82
REMARK 500 2 PRO A 11 42.10 -83.46
REMARK 500 2 CYS A 12 -66.12 -92.35
REMARK 500 2 LYS A 13 98.18 66.03
REMARK 500 2 ARG A 18 -159.22 -100.28
REMARK 500 2 ASN A 41 99.60 -44.90
REMARK 500 3 THR A 9 -13.05 -44.22
REMARK 500 3 ALA A 14 -161.16 -78.57
REMARK 500 3 TYR A 33 144.15 -174.33
REMARK 500 3 LYS A 39 -114.87 -124.43
REMARK 500 3 ARG A 40 -33.37 -142.39
REMARK 500 4 PHE A 2 -167.22 -124.91
REMARK 500 4 CYS A 3 -36.24 72.10
REMARK 500 4 THR A 9 -18.99 -30.04
REMARK 500 4 PRO A 11 87.10 -23.06
REMARK 500 4 CYS A 12 -157.49 -129.90
REMARK 500 4 ARG A 15 20.78 -140.74
REMARK 500 4 ARG A 37 -67.57 -128.17
REMARK 500 4 ALA A 38 132.91 96.36
REMARK 500 4 LYS A 39 -112.17 -129.16
REMARK 500 4 ARG A 40 -35.42 -151.67
REMARK 500 5 PHE A 2 -148.44 -123.64
REMARK 500 5 CYS A 3 -14.06 70.45
REMARK 500 5 LEU A 4 42.70 -92.93
REMARK 500 5 ALA A 14 -167.51 -78.01
REMARK 500 5 LYS A 39 -128.04 -134.78
REMARK 500 5 ARG A 40 -32.38 -144.28
REMARK 500 6 CYS A 3 -15.67 70.50
REMARK 500 6 ARG A 18 -153.19 -127.38
REMARK 500 6 GLN A 29 -151.29 -111.05
REMARK 500 6 VAL A 32 -163.20 -78.16
REMARK 500 6 TYR A 33 113.37 -169.31
REMARK 500 6 ARG A 37 -37.34 -130.99
REMARK 500 6 ALA A 38 113.65 53.86
REMARK 500 7 CYS A 3 -37.31 71.60
REMARK 500 7 THR A 9 -79.65 -96.60
REMARK 500 7 PRO A 11 72.30 -68.89
REMARK 500 7 CYS A 12 -107.66 -126.02
REMARK 500 7 ARG A 37 -84.54 -102.54
REMARK 500 7 ALA A 38 126.18 81.91
REMARK 500 8 CYS A 3 -39.52 175.35
REMARK 500
REMARK 500 THIS ENTRY HAS 131 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1AAL RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI, BASIC) MUTANT WITH CYS
REMARK 900 30 REPLACED BY VAL AND CYS 51 REPLACED BY ALA (C30V,C51A)
REMARK 900 RELATED ID: 1B0C RELATED DB: PDB
REMARK 900 EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI,
REMARK 900 CRYSTALLIZED FROM THIOCYANATE, CHLORIDE OR SULFATE
REMARK 900 RELATED ID: 1BHC RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE
REMARK 900 RELATED ID: 1BPI RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) ( CRYSTAL FORM II)
REMARK 900 RELATED ID: 1BPT RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT (TYR 23 REPLACED
REMARK 900 BY ALA) (Y23A)
REMARK 900 RELATED ID: 1BTH RELATED DB: PDB
REMARK 900 STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN
REMARK 900 INHIBITOR
REMARK 900 RELATED ID: 1BTI RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH PHE 22
REMARK 900 REPLACED BY ALA (F22A)
REMARK 900 RELATED ID: 1BZ5 RELATED DB: PDB
REMARK 900 EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI,
REMARK 900 CRYSTALLIZE FROM THIOCYANATE, CHLORIDE OR SULFATE
REMARK 900 RELATED ID: 1BZX RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR
REMARK 900 RELATED ID: 1CBW RELATED DB: PDB
REMARK 900 BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI
REMARK 900 RELATED ID: 1CO7 RELATED DB: PDB
REMARK 900 R117H MUTANT RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINEPANCREATIC
REMARK 900 TRYPSIN INHIBITOR (BPTI)
REMARK 900 RELATED ID: 1D0D RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF TICK ANTICOAGULANT PROTEIN COMPLEXEDWITH
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR
REMARK 900 RELATED ID: 1EAW RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE MTSP1 (MATRIPTASE)- BPTI (APROTININ)
REMARK 900 COMPLEX
REMARK 900 RELATED ID: 1EJM RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH
REMARK 900 BOVINE TRYPSIN
REMARK 900 RELATED ID: 1F5R RELATED DB: PDB
REMARK 900 RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATICTRYPSIN
REMARK 900 INHIBITOR
REMARK 900 RELATED ID: 1F7Z RELATED DB: PDB
REMARK 900 RAT TRYPSINOGEN K15A COMPLEXED WITH BOVINE PANCREATICTRYPSIN
REMARK 900 INHIBITOR
REMARK 900 RELATED ID: 1FAN RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH PHE 45
REMARK 900 REPLACED BY ALA (F45A)
REMARK 900 RELATED ID: 1FY8 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONICTRYPSINOGEN-
REMARK 900 BPTI COMPLEX
REMARK 900 RELATED ID: 1G6X RELATED DB: PDB
REMARK 900 ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATICTRYPSIN
REMARK 900 INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOPSEQUENCE
REMARK 900 RELATED ID: 1JV8 RELATED DB: PDB
REMARK 900 NMR STRUCTURE OF BPTI MUTANT G37A
REMARK 900 RELATED ID: 1JV9 RELATED DB: PDB
REMARK 900 NMR STRUCTURE OF BPTI MUTANT G37A
REMARK 900 RELATED ID: 1K09 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF BETACORE, A DESIGNED WATER SOLUBLEFOUR-
REMARK 900 STRANDED ANTIPARALLEL B- SHEET PROTEIN
REMARK 900 RELATED ID: 1K6U RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF CYCLIC BOVINE PANCREATIC TRYPSININHIBITOR
REMARK 900 RELATED ID: 1LD5 RELATED DB: PDB
REMARK 900 STRUCTURE OF BPTI MUTANT A16V
REMARK 900 RELATED ID: 1LD6 RELATED DB: PDB
REMARK 900 STRUCTURE OF BPTI_8A MUTANT
REMARK 900 RELATED ID: 1MTN RELATED DB: PDB
REMARK 900 BOVINE ALPHA-CHYMOTRYPSIN:BPTI CRYSTALLIZATION
REMARK 900 RELATED ID: 1NAG RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ASN 43
REMARK 900 REPLACED BY GLY (N43G)
REMARK 900 RELATED ID: 1OA5 RELATED DB: PDB
REMARK 900 THE SOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT
REMARK 900 HIGH PRESSURE
REMARK 900 RELATED ID: 1OA6 RELATED DB: PDB
REMARK 900 THE SOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT
REMARK 900 HIGH PRESSURE
REMARK 900 RELATED ID: 1PIT RELATED DB: PDB
REMARK 900 TRYPSIN INHIBITOR (NMR, 20 STRUCTURES)
REMARK 900 RELATED ID: 1QLQ RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED
REMARK 900 BINDING LOOP SEQUENCE
REMARK 900 RELATED ID: 1TPA RELATED DB: PDB
REMARK 900 ANHYDRO-TRYPSIN COMPLEX WITH PANCREATIC TRYPSIN INHIBITOR
REMARK 900 RELATED ID: 1UUA RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF A TRUNCATED BOVINE PANCREATIC TRYPSIN
REMARK 900 INHIBITOR, 3-58 BPTI
REMARK 900 RELATED ID: 2HEX RELATED DB: PDB
REMARK 900 DECAMERS OBSERVED IN THE CRYSTALS OF BOVINE PANCREATIC TRYPSIN
REMARK 900 INHIBITOR
REMARK 900 RELATED ID: 2KAI RELATED DB: PDB
REMARK 900 KALLIKREIN A COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
REMARK 900 RELATED ID: 2PTC RELATED DB: PDB
REMARK 900 BETA-TRYPSIN COMPLEX WITH PANCREATIC TRYPSIN INHIBITOR
REMARK 900 RELATED ID: 2TGP RELATED DB: PDB
REMARK 900 TRYPSINOGEN COMPLEX WITH PANCREATIC TRYPSIN INHIBITOR
REMARK 900 RELATED ID: 2TPI RELATED DB: PDB
REMARK 900 TRYPSINOGEN - PANCREATIC TRYPSIN INHIBITOR - ILE -VAL COMPLEX (2.4
REMARK 900 M MAGNESIUM SULFATE)
REMARK 900 RELATED ID: 3BTD RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN THE BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI.
REMARK 900 RELATED ID: 3BTE RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI.
REMARK 900 RELATED ID: 3BTF RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI.
REMARK 900 RELATED ID: 3BTG RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI
REMARK 900 RELATED ID: 3BTH RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI
REMARK 900 RELATED ID: 3BTK RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI
REMARK 900 RELATED ID: 3BTM RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI
REMARK 900 RELATED ID: 3BTQ RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI
REMARK 900 RELATED ID: 3BTT RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI
REMARK 900 RELATED ID: 3BTW RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-
REMARK 900 TRYPSIN AND TEN P1 VARIANTS OF BPTI
REMARK 900 RELATED ID: 3TGI RELATED DB: PDB
REMARK 900 WILD-TYPE RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC
REMARK 900 TRYPSIN INHIBITOR (BPTI)
REMARK 900 RELATED ID: 3TGJ RELATED DB: PDB
REMARK 900 S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN
REMARK 900 INHIBITOR (BPTI)
REMARK 900 RELATED ID: 3TGK RELATED DB: PDB
REMARK 900 TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17COMPLEXED
REMARK 900 WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
REMARK 900 RELATED ID: 3TPI RELATED DB: PDB
REMARK 900 TRYPSINOGEN COMPLEX WITH PANCREATIC TRYPSIN INHIBITOR AND ILE-VAL
REMARK 900 RELATED ID: 4PTI RELATED DB: PDB
REMARK 900 TRYPSIN INHIBITOR
REMARK 900 RELATED ID: 4TPI RELATED DB: PDB
REMARK 900 TRYPSINOGEN COMPLEX WITH THE ARG==15==- ANALOGUE OF PANCREATIC
REMARK 900 TRYPSIN INHIBITOR AND VAL-VAL
REMARK 900 RELATED ID: 5PTI RELATED DB: PDB
REMARK 900 TRYPSIN INHIBITOR (CRYSTAL FORM II)
REMARK 900 RELATED ID: 6PTI RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI, CRYSTAL FORM III)
REMARK 900 RELATED ID: 7PTI RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT (CYS 30 REPLACED
REMARK 900 BY ALA, CYS 51 REPLACED BY ALA) (C30A, C51A)
REMARK 900 RELATED ID: 8PTI RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT (TYR 35 REPLACED
REMARK 900 BY GLY) (Y35G)
REMARK 900 RELATED ID: 9PTI RELATED DB: PDB
REMARK 900 BASIC PANCREATIC TRYPSIN INHIBITOR (MET 52 OXIDIZED)
REMARK 900 RELATED ID: 1UUB RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF A TRUNCATED BOVINE PANCREATIC TRYPSIN
REMARK 900 INHIBITOR MUTANT, 3-58 BPTI (K15R, R17A, R42S)
DBREF 1UUA A 1 56 UNP P00974 BPT1_BOVIN 38 93
SEQRES 1 A 56 ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO CYS LYS
SEQRES 2 A 56 ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS ALA GLY
SEQRES 3 A 56 LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG ALA LYS
SEQRES 4 A 56 ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET ARG THR
SEQRES 5 A 56 CYS GLY GLY ALA
HELIX 1 1 SER A 45 GLY A 54 1 10
SHEET 1 AA 2 ILE A 17 TYR A 21 0
SHEET 2 AA 2 CYS A 28 VAL A 32 -1 O GLN A 29 N PHE A 20
SSBOND 1 CYS A 3 CYS A 53 1555 1555 2.04
SSBOND 2 CYS A 12 CYS A 36 1555 1555 2.03
SSBOND 3 CYS A 28 CYS A 49 1555 1555 2.03
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - n 17 2 Bytes