Structure of PDB 7b04 Chain O Binding Site BS01

Receptor Information
>7b04 Chain O (length=291) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGVKGVAEEELTPAKEVLNVKYMQIDVPAHITVGALEGAFKNAEGVQVKL
QKQDKAFPNGGGSVNSAEIKAIHDGITIYFQVIWDDATDNKQAIATQEFR
DGAALMFPLGKITISPEEPFSPRMGDRQKPVNLWHWKADWEADLLATGGI
EECPARYPNMHDDFSTNPHSVNYHKGVIQSAAELSGGYAAHNLLSLPRGR
AVEDLNAEGFGTLTSQDHQDVDGCSKFENKKWTVVFCRSLNTGDPLDVQF
VPGESTYFNMAVWNGDREDRNGQKNISIQWHPLSLERIAWQ
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 chain7b04 Chain O Residue 401 [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]
PDB7b04 Structural and functional characterization of the intracellular filament-forming nitrite oxidoreductase multiprotein complex
Resolution2.97 Å
Binding residue
(original residue number in PDB)		A135 L136 M137 R154 M155 H166 F241 G242 T243 L244 N290 M291 A292 W294 N302 G303 K305 I307
Binding residue
(residue number reindexed from 1)		A104 L105 M106 R123 M124 H135 F210 G211 T212 L213 N259 M260 A261 W263 N271 G272 K274 I276
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7b04, PDBe:7b04, PDBj:7b04
PDBsum7b04
PubMed
UniProtQ1PZD4

[Back to BioLiP]