Structure of PDB 7b04 Chain U Binding Site BS01

Receptor Information
>7b04 Chain U (length=292) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEGVKGVAEEELTPAKEVLNVKYMQIDVPAHITVGALEGAFKNAEGVQVK
LQKQDKAFPNGGGSVNSAEIKAIHDGITIYFQVIWDDATDNKQAIATQEF
RDGAALMFPLGKITISPEEPFSPRMGDRQKPVNLWHWKADWEADLLATGG
IEECPARYPNMHDDFSTNPHSVNYHKGVIQSAAELSGGYAAHNLLSLPRG
RAVEDLNAEGFGTLTSQDHQDVDGCSKFENKKWTVVFCRSLNTGDPLDVQ
FVPGESTYFNMAVWNGDREDRNGQKNISIQWHPLSLERIAWQ
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 U Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7b04 Structural and functional characterization of the intracellular filament-forming nitrite oxidoreductase multiprotein complex
Resolution2.97 Å
Binding residue
(original residue number in PDB)		Q84 K86 A135 M137 R154 M155 L164 H166 F241 G242 L244 N290 M291 A292 W294 R301 N302 K305
Binding residue
(residue number reindexed from 1)		Q54 K56 A105 M107 R124 M125 L134 H136 F211 G212 L214 N260 M261 A262 W264 R271 N272 K275
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

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