Structure of PDB 6rk0 Chain B Binding Site BS04

Receptor Information
>6rk0 Chain B (length=214) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEAPSDRTHVKRYHWLARYDQETVKAILDATPLAHVGCMMNGVPFVTPTF
FWREGDRVYWHGSSAGRLFKALEHQDICLTVSLLDGLVIARSAYNFNCNF
RSVMLLGRAELISDEAVKAEKLRNFVDGLIPGEWERLRPVHAKEIEATAV
ASLSIAEASCKVRTGPPLDDEEDYAFPSWAGVIPIRYQVLPPEPDPRNLP
DVPMPEDILKFRLG
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain6rk0 Chain B Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6rk0 A low-potential terminal oxidase associated with the iron-only nitrogenase from the nitrogen-fixing bacteriumAzotobacter vinelandii.
Resolution0.99 Å
Binding residue
(original residue number in PDB)		F59 H70 S72 L131 F134 W143 T157
Binding residue
(residue number reindexed from 1)		F50 H61 S63 L122 F125 W134 T148
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6rk0, PDBe:6rk0, PDBj:6rk0
PDBsum6rk0
PubMed31043481
UniProtC1DK98

[Back to BioLiP]