Structure of PDB 7abw Chain B Binding Site BS01

Receptor Information
>7abw Chain B (length=365) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRPVLVLLHRYVGLATALFLFLAGLTGSLLAFHHEIDEWLNPGFYAVGEG
GERLSPGSLVQRVESRYPRQLVWYMEYPEAGGHPALLATVPREAGAKVEH
DVFYLDPVSGEEVGKRLWAACCFQPANLVPWVLEFHHNLTLPGNWGLYLM
GGVAMFWFLDCFVGAWLTLPRNAYRFNFDLHRAGGLWLWLLLAPVALSSV
ALNLPSQVFKPLVSLFSPIEPSVYEARGRLPREQLGETRLDYDRTFQLAS
VEAARLGIAEPIGELYYSFEYNFFGAGFGDHDDPMGKSWLFFHGSDGRLL
GQEVAGQGSWGERFYRLQYPIHGGRIAGLPGRIAIAALGLAIAGLSLTGV
YIWWRKRRARHWNGR
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 chain7abw Chain B 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]
PDB7abw Structural insights into a novel family of integral membrane siderophore reductases.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		H9 R10 G13 F195 H198 R199 W206 L362 S363 G366 I369 K373
Binding residue
(residue number reindexed from 1)		H9 R10 G13 F178 H181 R182 W189 L345 S346 G349 I352 K356
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7abw, PDBe:7abw, PDBj:7abw
PDBsum7abw
PubMed34417315
UniProtQ9I117

[Back to BioLiP]