Header list of 1e9j.pdb file
Complete list - l 29 2 Bytes
HEADER GLYCOPROTEIN 18-OCT-00 1E9J TITLE SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN TITLE 2 [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 AND ASN78] CAVEAT 1E9J NAG A 102 HAS WRONG CHIRALITY AT ATOM C1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHORIONIC GONADOTROPIN; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: GLYCOSYLATED AT ASN52 AND ASN78 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 OTHER_DETAILS: ISOLATED FROM URINE OF PREGNANT WOMEN KEYWDS GLYCOPROTEIN, CHORIONIC GONADOTROPIN, HCG, XPLOR EXPDTA SOLUTION NMR NUMMDL 26 AUTHOR P.J.A.ERBEL,Y.KARIMI-NEJAD,J.A.VAN KUIK,R.BOELENS,J.P.KAMERLING, AUTHOR 2 J.F.G.VLIEGENTHART REVDAT 8 29-JUL-20 1E9J 1 COMPND REMARK HETNAM LINK REVDAT 8 2 1 SITE REVDAT 7 17-JAN-18 1E9J 1 SOURCE AUTHOR JRNL REVDAT 6 12-JUL-17 1E9J 1 REVDAT 5 19-OCT-11 1E9J 1 REMARK HETSYN VERSN REVDAT 4 24-FEB-09 1E9J 1 VERSN REVDAT 3 24-JUL-03 1E9J 1 JRNL REVDAT 2 24-JUN-03 1E9J 1 HET HETSYN SSBOND LINK REVDAT 2 2 1 ATOM HETATM CONECT REVDAT 1 25-JUL-02 1E9J 0 JRNL AUTH P.J.ERBEL,Y.KARIMI-NEJAD,J.A.VAN KUIK,R.BOELENS, JRNL AUTH 2 J.P.KAMERLING,J.F.VLIEGENTHART JRNL TITL EFFECTS OF THE N-LINKED GLYCANS ON THE 3D STRUCTURE OF THE JRNL TITL 2 FREE ALPHA-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN. JRNL REF BIOCHEMISTRY V. 39 6012 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 10821673 JRNL DOI 10.1021/BI992786N REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1E9J COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 18-OCT-00. REMARK 100 THE DEPOSITION ID IS D_1290005454. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 328 REMARK 210 PH : 5.1 REMARK 210 IONIC STRENGTH : 100 REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : DRX; AMX; UNITY REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DG/SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 26 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: STRUCTURAL STATISTICS FOR THE FAMILY OF 27 AHCG CONFORMERS REMARK 210 EXCLUDE THE FLEXIBLE LOOP AND ENDS, SEGMENTS 1-10, 29-58 AND 85- REMARK 210 92 (SEE REFERENCE) 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 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 O THR A 11 H MET A 29 1.57 REMARK 500 O GLN A 20 H GLY A 22 1.60 REMARK 500 O VAL A 76 N ASN A 78 2.18 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 ASP A 3 -144.81 -161.34 REMARK 500 1 GLN A 5 22.56 48.42 REMARK 500 1 PRO A 8 -168.08 -79.92 REMARK 500 1 CYS A 10 129.95 -28.83 REMARK 500 1 THR A 11 -169.69 175.86 REMARK 500 1 GLN A 13 62.71 -112.36 REMARK 500 1 GLU A 14 125.72 -0.20 REMARK 500 1 PHE A 17 -53.38 -126.99 REMARK 500 1 PRO A 21 67.97 -53.37 REMARK 500 1 PRO A 24 65.40 -107.55 REMARK 500 1 ILE A 25 -175.69 -39.11 REMARK 500 1 LEU A 26 -158.72 -150.88 REMARK 500 1 GLN A 27 86.34 161.75 REMARK 500 1 CYS A 28 111.49 -31.98 REMARK 500 1 CYS A 32 30.75 -91.92 REMARK 500 1 PHE A 33 -170.95 61.88 REMARK 500 1 LEU A 41 -141.43 -80.85 REMARK 500 1 SER A 43 86.86 58.39 REMARK 500 1 LYS A 44 -81.34 -48.74 REMARK 500 1 LYS A 45 -155.88 -61.82 REMARK 500 1 THR A 46 167.48 -34.73 REMARK 500 1 MET A 47 -40.40 -27.20 REMARK 500 1 GLN A 50 -176.07 62.12 REMARK 500 1 SER A 55 105.05 60.19 REMARK 500 1 GLU A 56 -34.68 -160.83 REMARK 500 1 SER A 57 60.21 -69.94 REMARK 500 1 CYS A 60 52.54 -109.76 REMARK 500 1 VAL A 61 87.23 -46.90 REMARK 500 1 ALA A 62 111.75 -0.93 REMARK 500 1 ARG A 67 129.48 -7.06 REMARK 500 1 THR A 69 118.34 -22.20 REMARK 500 1 VAL A 70 -164.07 -112.53 REMARK 500 1 MET A 71 147.46 -26.77 REMARK 500 1 PHE A 74 174.72 -52.60 REMARK 500 1 GLU A 77 40.95 24.88 REMARK 500 1 ASN A 78 67.95 -0.41 REMARK 500 1 CYS A 84 170.66 -48.88 REMARK 500 1 SER A 85 -165.62 58.71 REMARK 500 1 THR A 86 97.86 42.58 REMARK 500 1 TYR A 89 89.14 169.16 REMARK 500 1 LYS A 91 79.57 78.54 REMARK 500 2 PRO A 2 46.99 -78.28 REMARK 500 2 ASP A 6 123.73 -34.47 REMARK 500 2 CYS A 7 76.29 -172.09 REMARK 500 2 PRO A 8 -155.96 -51.94 REMARK 500 2 THR A 11 -165.71 -165.10 REMARK 500 2 GLN A 13 51.77 -106.71 REMARK 500 2 GLU A 14 122.37 -1.66 REMARK 500 2 PHE A 17 -62.29 -103.13 REMARK 500 2 SER A 19 108.80 -51.36 REMARK 500 REMARK 500 THIS ENTRY HAS 1122 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DZ7 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN REMARK 900 [MODELED WITHOUT CARBOHYDRATE RESIDUES] REMARK 900 RELATED ID: 1QFW RELATED DB: PDB REMARK 900 TERNARY COMPLEX OF HUMAN CHORIONIC GONADOTROPIN WITH FV ANTI ALPHA REMARK 900 SUBUNIT AND FV ANTI BETA SUBUNIT REMARK 900 RELATED ID: 1XUL RELATED DB: PDB REMARK 900 THEORETICAL MODEL OF THE LIGAND-BINDING REGION OF LUTROPIN RECEPTOR REMARK 900 COMPLEXED WITH HUMAN CHORIONIC GONADOTROPIN REMARK 900 RELATED ID: 1HRP RELATED DB: PDB REMARK 900 HUMAN CHORIONIC GONADOTROPIN (HCG) REMARK 900 RELATED ID: 1HCN RELATED DB: PDB REMARK 900 HUMAN CHORIONIC GONADOTROPIN (HCG) DBREF 1E9J A 1 92 UNP P01215 GLHA_HUMAN 25 116 SEQRES 1 A 92 ALA PRO ASP VAL GLN ASP CYS PRO GLU CYS THR LEU GLN SEQRES 2 A 92 GLU ASN PRO PHE PHE SER GLN PRO GLY ALA PRO ILE LEU SEQRES 3 A 92 GLN CYS MET GLY CYS CYS PHE SER ARG ALA TYR PRO THR SEQRES 4 A 92 PRO LEU ARG SER LYS LYS THR MET LEU VAL GLN LYS ASN SEQRES 5 A 92 VAL THR SER GLU SER THR CYS CYS VAL ALA LYS SER TYR SEQRES 6 A 92 ASN ARG VAL THR VAL MET GLY GLY PHE LYS VAL GLU ASN SEQRES 7 A 92 HIS THR ALA CYS HIS CYS SER THR CYS TYR TYR HIS LYS SEQRES 8 A 92 SER MODRES 1E9J ASN A 52 ASN GLYCOSYLATION SITE MODRES 1E9J ASN A 78 ASN GLYCOSYLATION SITE HET NAG A 101 23 HET NAG A 102 23 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE FORMUL 2 NAG 2(C8 H15 N O6) HELIX 1 AA1 VAL A 70 PHE A 74 5 5 SSBOND 1 CYS A 7 CYS A 31 1555 1555 2.03 SSBOND 2 CYS A 10 CYS A 60 1555 1555 2.03 SSBOND 3 CYS A 28 CYS A 82 1555 1555 2.03 SSBOND 4 CYS A 32 CYS A 84 1555 1555 2.03 SSBOND 5 CYS A 59 CYS A 87 1555 1555 2.03 LINK ND2 ASN A 52 C1 NAG A 101 1555 1555 1.45 LINK ND2 ASN A 78 C1 NAG A 102 1555 1555 1.44 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 - l 29 2 Bytes