Header list of 1cyb.pdb file
Complete list - 25 20 Bytes
HEADER IMMUNOSUPPRESSANT 24-FEB-92 1CYB
TITLE NMR STUDIES OF (U-13C)CYCLOSPORIN A BOUND TO CYCLOPHILIN: BOUND
TITLE 2 CONFORMATION AND PORTIONS OF CYCLOSPORIN INVOLVED IN BINDING
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CYCLOSPORIN A;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: CYCLOSPORINE, CICLOSPORIN, CICLOSPORINE;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: TOLYPOCLADIUM INFLATUM;
SOURCE 4 ORGANISM_TAXID: 29910
KEYWDS IMMUNOSUPPRESSANT, CYCLOSPORIN A
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.W.FESIK
REVDAT 5 27-JUL-11 1CYB 1 HETATM REMARK
REVDAT 4 13-JUL-11 1CYB 1 VERSN
REVDAT 3 24-FEB-09 1CYB 1 VERSN
REVDAT 2 01-APR-03 1CYB 1 JRNL
REVDAT 1 31-JAN-94 1CYB 0
JRNL AUTH S.W.FESIK,R.T.GAMPE,H.L.EATON,G.GEMMECKER,E.T.OLEJNICZAK,
JRNL AUTH 2 P.NERI,T.F.HOLZMAN,D.A.EGAN,R.EDALJI
JRNL TITL NMR STUDIES OF [U-13C]CYCLOSPORIN A BOUND TO CYCLOPHILIN:
JRNL TITL 2 BOUND CONFORMATION AND PORTIONS OF CYCLOSPORIN INVOLVED IN
JRNL TITL 3 BINDING.
JRNL REF BIOCHEMISTRY V. 30 6574 1991
JRNL REFN ISSN 0006-2960
JRNL PMID 2054356
JRNL DOI 10.1021/BI00240A030
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH S.W.FESIK,G.GEMMECKER,E.T.OLEJNICZAK,A.M.PETROS
REMARK 1 TITL IDENTIFICATION OF SOLVENT-EXPOSED REGIONS OF ENZYME-BOUND
REMARK 1 TITL 2 LIGANDS BY NUCLEAR MAGNETIC RESONANCE
REMARK 1 REF J.AM.CHEM.SOC. V. 113 7080 1991
REMARK 1 REFN ISSN 0002-7863
REMARK 1 DOI 10.1021/JA00018A080
REMARK 1 REFERENCE 2
REMARK 1 AUTH P.NERI,R.MEADOWS,G.GEMMECKER,E.OLEJNICZAK,D.NETTESHEIM,
REMARK 1 AUTH 2 T.LOGAN,R.SIMMER,R.HELFRICH,T.HOLZMAN,J.SEVERIN,S.FESIK
REMARK 1 TITL 1H, 13C AND 15N BACKBONE ASSIGNMENTS OF CYCLOPHILIN WHEN
REMARK 1 TITL 2 BOUND TO CYCLOSPORIN A (CSA) AND PRELIMINARY STRUCTURAL
REMARK 1 TITL 3 CHARACTERIZATION OF THE CSA BINDING SITE
REMARK 1 REF FEBS LETT. V. 294 81 1991
REMARK 1 REFN ISSN 0014-5793
REMARK 1 DOI 10.1016/0014-5793(91)81348-C
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DSPACE, X-PLOR
REMARK 3 AUTHORS : HARE RESEARCH INC. (DSPACE), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1CYB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
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 CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
REMARK 400 HERE, CYCLOSPORIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)
REMARK 400
REMARK 400 GROUP: 1
REMARK 400 NAME: CYCLOSPORIN A
REMARK 400 CHAIN: A
REMARK 400 COMPONENT_1: PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11
REMARK 400 DESCRIPTION: CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
REMARK 400 CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
REMARK 400 THE C- TERMINI.
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1BCK RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 CYCLOSPORIN C
REMARK 900 RELATED ID: 1C5F RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE CYCLOPHILIN-LIKE DOMAIN FROM
REMARK 900 BRUGIA MALAYI COMPLEXED WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 1CSA RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF E.COLI CYCLOPHILIN (F112W) COMPLEXED
REMARK 900 WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 1CWA RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 CYCLOSPORIN A
REMARK 900 RELATED ID: 1CWB RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN A AT POSITION 5
REMARK 900 RELATED ID: 1CWC RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN A AT POSITION 8
REMARK 900 RELATED ID: 1CWF RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 CYCLOSPORIN D
REMARK 900 RELATED ID: 1CWH RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 CYCLOSPORIN A MODIFIED AT POSITION 7
REMARK 900 RELATED ID: 1CWI RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN D AT POSITION 7
REMARK 900 RELATED ID: 1CWJ RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN D AT POSITIONS 5 AND 7.
REMARK 900 RELATED ID: 1CWK RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN D AT POSITIONS 5 AND 7.
REMARK 900 RELATED ID: 1CWL RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN A AT POSITION 8
REMARK 900 RELATED ID: 1CWM RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN A AT POSITION 8
REMARK 900 RELATED ID: 1CWO RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 NODIFIED CYCLOSPORIN C AT POSITIONS 1, AND 9
REMARK 900 RELATED ID: 1CYA RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF HUMAN CYCLOPHILIN COMPLEXED WITH
REMARK 900 CYCLOSPORIN A
REMARK 900 RELATED ID: 1CYN RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN B COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN A
REMARK 900 RELATED ID: 1IKF RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF CTCLOSPORIN-FAB COMPLEX
REMARK 900 RELATED ID: 1M63 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF CALCINEURIN-CYCLOPHILIN-CYCLOSPORIN
REMARK 900 COMPLEX
REMARK 900 RELATED ID: 1MF8 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CALCINEURIN COMPLEXED WITH HUMAN
REMARK 900 CYCLOPHILIN AND CYCLOSPORIN A
REMARK 900 RELATED ID: 1MIK RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN A AT POSITION 6
REMARK 900 RELATED ID: 1QNG RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM CYCLOPHILIN
REMARK 900 COMPLEXED WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 1QNH RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM CYCLOPHILIN
REMARK 900 (DOUBLE MUTANT) COMPLEXED WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 1XQ7 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI CYCLOPHILIN
REMARK 900 COMPLEXED WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 2ESL RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN C COMPLEXED WITH
REMARK 900 CYCLOSPORIN A
REMARK 900 RELATED ID: 2OJU RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN J COMPLEXED WITH
REMARK 900 CYCLOSPORIN A
REMARK 900 RELATED ID: 2POY RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF CRYPTOSPORIDIUM PARVUM IOWA II
REMARK 900 CYCLOPHILIN A COMPLEXED WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 2RMA RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 CYCLOSPORIN A
REMARK 900 RELATED ID: 2RMB RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN A COMPLEXED WITH
REMARK 900 MODIFIED CYCLOSPORIN A AT POSITION 5
REMARK 900 RELATED ID: 2RMC RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF MURINE CYCLOPHILIN C COMPLEXED WITH
REMARK 900 CYCLOSPORIN A
REMARK 900 RELATED ID: 2WFJ RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF HUMAN CYCLOPHILIN
REMARK 900 G COMPLEXED WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 2X2C RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN ACETYL-CYPA COMPLEXED WITH
REMARK 900 CYCLOSPORINE A
REMARK 900 RELATED ID: 2X7K RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF PPIL1 COMPLEXED WITH CYCLOSPORINE A
REMARK 900 RELATED ID: 2Z6W RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN D IN COMPLEX WITH
REMARK 900 CYCLOSPORIN A
REMARK 900 RELATED ID: 3BO7 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF CYCLOSPHILIN A FROM TOXOPLASMA GONDII
REMARK 900 COMPLEXED WIT CYCLOSPORIN A
REMARK 900 RELATED ID: 3CYS RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE HUMAN CYCLOSPORIN A COMPLEXED
REMARK 900 WITH CYCLOSPORIN A
REMARK 900 RELATED ID: 3EOV RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF CYCLOPHILIN FROM LEISHMANIA DONOVANI
REMARK 900 COMPLEXED WITH CYCLOSPORIN A
DBREF 1CYB A 1 11 NOR NOR00033 NOR00033 1 11
SEQRES 1 A 11 DAL MLE MLE MVA BMT ABA SAR MLE VAL MLE ALA
HET DAL A 1 10
HET MLE A 2 22
HET MLE A 3 22
HET MVA A 4 19
HET BMT A 5 30
HET ABA A 6 13
HET SAR A 7 10
HET MLE A 8 22
HET MLE A 10 22
HETNAM DAL D-ALANINE
HETNAM MLE N-METHYLLEUCINE
HETNAM MVA N-METHYLVALINE
HETNAM BMT 4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
HETNAM ABA ALPHA-AMINOBUTYRIC ACID
HETNAM SAR SARCOSINE
FORMUL 1 DAL C3 H7 N O2
FORMUL 1 MLE 4(C7 H15 N O2)
FORMUL 1 MVA C6 H13 N O2
FORMUL 1 BMT C10 H19 N O3
FORMUL 1 ABA C4 H9 N O2
FORMUL 1 SAR C3 H7 N O2
LINK N DAL A 1 C ALA A 11 1555 1555 1.31
LINK C DAL A 1 N MLE A 2 1555 1555 1.32
LINK C MLE A 2 N MLE A 3 1555 1555 1.31
LINK C MLE A 3 N MVA A 4 1555 1555 1.31
LINK C MVA A 4 N BMT A 5 1555 1555 1.32
LINK C BMT A 5 N ABA A 6 1555 1555 1.31
LINK C ABA A 6 N SAR A 7 1555 1555 1.31
LINK C SAR A 7 N MLE A 8 1555 1555 1.31
LINK C MLE A 8 N VAL A 9 1555 1555 1.31
LINK C VAL A 9 N MLE A 10 1555 1555 1.32
LINK C MLE A 10 N ALA A 11 1555 1555 1.31
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 - 25 20 Bytes