Header list of 1mic.pdb file
Complete list - 8 20 Bytes
HEADER ANTIBIOTIC 22-MAY-96 1MIC TITLE GRAMICIDIN A: LEFT-HANDED PARALLEL DOUBLE HELICAL FORM IN METHANOL IN TITLE 2 THE PRESENCE OF CACL2, NMR, 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: GRAMICIDIN A; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: VALYL GRAMICIDIN SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; SOURCE 3 ORGANISM_TAXID: 1393 KEYWDS GRAMICIDIN, ANTIFUNGAL, ANTIBACTERIAL, DOUBLE HELIX, MEMBRANE ION KEYWDS 2 CHANNEL, LINEAR GRAMICIDIN, ANTIBIOTIC EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR Y.CHEN,A.TUCKER,B.A.WALLACE REVDAT 7 08-AUG-18 1MIC 1 REMARK REVDAT 6 01-NOV-17 1MIC 1 REMARK REVDAT 5 27-JUL-11 1MIC 1 ATOM HETATM REMARK SEQRES REVDAT 4 13-JUL-11 1MIC 1 VERSN REVDAT 3 24-FEB-09 1MIC 1 VERSN REVDAT 2 24-JUN-98 1MIC 1 COMPND SOURCE JRNL REMARK REVDAT 2 2 1 SHEET REVDAT 1 12-FEB-97 1MIC 0 JRNL AUTH Y.CHEN,A.TUCKER,B.A.WALLACE JRNL TITL SOLUTION STRUCTURE OF A PARALLEL LEFT-HANDED DOUBLE-HELICAL JRNL TITL 2 GRAMICIDIN-A DETERMINED BY 2D 1H NMR. JRNL REF J.MOL.BIOL. V. 264 757 1996 JRNL REFN ISSN 0022-2836 JRNL PMID 8980684 JRNL DOI 10.1006/JMBI.1996.0675 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1MIC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000175012. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 20 MM GRAMICIDIN D, 1 MM CACL2, REMARK 210 METHANOL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TOCSY; NOESY; DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX; GX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; JEOL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 187 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS REMARK 400 INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM REMARK 400 BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D REMARK 400 HERE, GRAMICIDIN A IS REPRESENTED BY THE SEQUENCE (SEQRES) REMARK 400 REMARK 400 THE GRAMICIDIN A IS POLYPEPTIDE, A MEMBER OF ANTIBIOTIC CLASS. REMARK 400 REMARK 400 GROUP: 1 REMARK 400 NAME: GRAMICIDIN A REMARK 400 CHAIN: A, B REMARK 400 COMPONENT_1: PEPTIDE LIKE POLYMER REMARK 400 DESCRIPTION: GRAMICIDIN A IS A HEXADECAMERIC HELICAL PEPTIDE WITH REMARK 400 ALTERNATING D,L CHARACTERISTICS. THE N-TERM IS REMARK 400 FORMYLATED (RESIDUE 0). THE C-TERM IS CAPPED WITH REMARK 400 ETHANOLAMINE (RESIDUE 16). REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN A OF GRAMICIDIN A REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN B OF GRAMICIDIN A REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TK2 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN S COMPLEXED WITH ALKALINE REMARK 900 PROTEINASE SAVINASE REMARK 900 RELATED ID: 2XDC RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A FROM CRYSTALS GROWN IN A LIPID REMARK 900 CUBIC PHASE. REMARK 900 RELATED ID: 1AV2 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLEXED WITH CESIUM CHLORIDE REMARK 900 RELATED ID: 1BDW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A FROM BACILLUS BREVIS REMARK 900 RELATED ID: 1C4D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLEXED WITH CESIUM CHLORIDE REMARK 900 RELATED ID: 1GMK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLRXED WITH POTASSIUM REMARK 900 THIOCYANATE REMARK 900 RELATED ID: 1GRM RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE GRAMICIDIN A REMARK 900 RELATED ID: 1JNO RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A IN SODIUM DODECYL SULFATE REMARK 900 MICELLES REMARK 900 RELATED ID: 1KQE RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A LINKED SHORTENED GRAMICIDIN A IN BENZENE/ REMARK 900 ACETONE 10:1 REMARK 900 RELATED ID: 1MAG RELATED DB: PDB REMARK 900 SOLID STATE NMR STRUCTURE OF GRAMICIDIN A IN HYDRATED DMPC BILAYERS, REMARK 900 RELATED ID: 1NG8 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A (W15G) IN SODIUM DODECYL SULFATE REMARK 900 MICELLES REMARK 900 RELATED ID: 1NRM RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A IN DODECYL PHOSPHOCHOLINE REMARK 900 MICELLES REMARK 900 RELATED ID: 1NRU RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A IN DODECYL PHOSPHOCHOLINE REMARK 900 MICELLES IN THE PRESENCE OF EXCESS NA+ REMARK 900 RELATED ID: 1NT5 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A (V1F) IN SODIUM DODECYL SULFATE REMARK 900 MICELLES REMARK 900 RELATED ID: 1JO3 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN B IN SODIUM DODECYL SULFATE REMARK 900 MICELLES REMARK 900 RELATED ID: 1JO4 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN C IN SODIUM DODECYL SULFATE REMARK 900 MICELLES REMARK 900 RELATED ID: 1NT6 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF F1-GRAMICIDIN C IN SODIUM DODECYL SULFATE REMARK 900 MICELLES REMARK 900 RELATED ID: 1TKQ RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN A IN A REMARK 900 MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE, IN THE PRESENCE OF CSCL REMARK 900 RELATED ID: 1W5U RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN ETHANOL REMARK 900 RELATED ID: 2IZQ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D COMPLEX WITH KI IN METHANOL REMARK 900 RELATED ID: 3L8L RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D COMPLEX WITH NAI REMARK 900 RELATED ID: 1AL4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN N-PROPANOL REMARK 900 RELATED ID: 1ALX RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN METHANOL REMARK 900 RELATED ID: 1ALZ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN ETHANOL DBREF 1MIC A 1 16 NOR NOR00243 NOR00243 1 16 DBREF 1MIC B 1 16 NOR NOR00243 NOR00243 1 16 SEQRES 1 A 16 FVA GLY ALA DLE ALA DVA VAL DVA TRP DLE TRP DLE TRP SEQRES 2 A 16 DLE TRP ETA SEQRES 1 B 16 FVA GLY ALA DLE ALA DVA VAL DVA TRP DLE TRP DLE TRP SEQRES 2 B 16 DLE TRP ETA HET FVA A 1 19 HET DLE A 4 19 HET DVA A 6 16 HET DVA A 8 16 HET DLE A 10 19 HET DLE A 12 19 HET DLE A 14 19 HET ETA A 16 10 HET FVA B 1 19 HET DLE B 4 19 HET DVA B 6 16 HET DVA B 8 16 HET DLE B 10 19 HET DLE B 12 19 HET DLE B 14 19 HET ETA B 16 10 HETNAM FVA N-FORMYL-L-VALINE HETNAM DLE D-LEUCINE HETNAM DVA D-VALINE HETNAM ETA ETHANOLAMINE FORMUL 1 FVA 2(C6 H11 N O3) FORMUL 1 DLE 8(C6 H13 N O2) FORMUL 1 DVA 4(C5 H11 N O2) FORMUL 1 ETA 2(C2 H7 N O) HELIX 1 DH1 GLY A 2 TRP A 15 11 14 HELIX 2 DH2 GLY B 2 TRP B 15 11 14 SHEET 1 AA 2 ALA A 3 TRP A 13 0 SHEET 2 AA 2 ALA B 3 TRP B 13 1 O ALA B 3 N DVA A 6 LINK C FVA A 1 N GLY A 2 1555 1555 1.31 LINK C ALA A 3 N DLE A 4 1555 1555 1.31 LINK C DLE A 4 N ALA A 5 1555 1555 1.30 LINK C ALA A 5 N DVA A 6 1555 1555 1.30 LINK C DVA A 6 N VAL A 7 1555 1555 1.30 LINK C VAL A 7 N DVA A 8 1555 1555 1.31 LINK C DVA A 8 N TRP A 9 1555 1555 1.31 LINK C TRP A 9 N DLE A 10 1555 1555 1.30 LINK C DLE A 10 N TRP A 11 1555 1555 1.30 LINK C TRP A 11 N DLE A 12 1555 1555 1.30 LINK C DLE A 12 N TRP A 13 1555 1555 1.31 LINK C TRP A 13 N DLE A 14 1555 1555 1.31 LINK C DLE A 14 N TRP A 15 1555 1555 1.31 LINK C TRP A 15 N ETA A 16 1555 1555 1.31 LINK C FVA B 1 N GLY B 2 1555 1555 1.31 LINK C ALA B 3 N DLE B 4 1555 1555 1.31 LINK C DLE B 4 N ALA B 5 1555 1555 1.30 LINK C ALA B 5 N DVA B 6 1555 1555 1.30 LINK C DVA B 6 N VAL B 7 1555 1555 1.31 LINK C VAL B 7 N DVA B 8 1555 1555 1.30 LINK C DVA B 8 N TRP B 9 1555 1555 1.31 LINK C TRP B 9 N DLE B 10 1555 1555 1.30 LINK C DLE B 10 N TRP B 11 1555 1555 1.30 LINK C TRP B 11 N DLE B 12 1555 1555 1.30 LINK C DLE B 12 N TRP B 13 1555 1555 1.31 LINK C TRP B 13 N DLE B 14 1555 1555 1.31 LINK C DLE B 14 N TRP B 15 1555 1555 1.31 LINK C TRP B 15 N ETA B 16 1555 1555 1.31 SITE 1 AC1 16 FVA B 1 GLY B 2 ALA B 3 DLE B 4 SITE 2 AC1 16 ALA B 5 DVA B 6 VAL B 7 DVA B 8 SITE 3 AC1 16 TRP B 9 DLE B 10 TRP B 11 DLE B 12 SITE 4 AC1 16 TRP B 13 DLE B 14 TRP B 15 ETA B 16 SITE 1 AC2 16 FVA A 1 GLY A 2 ALA A 3 DLE A 4 SITE 2 AC2 16 ALA A 5 DVA A 6 VAL A 7 DVA A 8 SITE 3 AC2 16 TRP A 9 DLE A 10 TRP A 11 DLE A 12 SITE 4 AC2 16 TRP A 13 DLE A 14 TRP A 15 ETA A 16 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 - 8 20 Bytes