Structure of PDB 6ehs Chain M Binding Site BS02

Receptor Information
>6ehs Chain M (length=551) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQRITIDPVTRIEGHLRIDCEIENGVVSKAWASGTMWRGMEEIVKNRDPR
DAWMIVQRICGVCTTTHALSSVRAAESALNIDVPVNAQYIRNIILAAHTT
HDHIVHFYQLSALDWVDITSALQADPTKASEMLKGVSTWHLNSPEEFTKV
QNKIKDLVASGQLGIFANGYWGHPAMKLPPEVNLIAVAHYLQALECQRDA
NRVVALLGGKTPHIQNLAVGGVANPINLDGLGVLNLERLMYIKSFIDKLS
DFVEQVYKVDTAVIAAFYPEWLTRGKGAVNYLSVPEFPTDSKNGSFLFPG
GYIENADLSSYRPITSHSDEYLIKGIQESAKHSWYKDEAPQAPWEGTTIP
AYDGWSDDGKYSWVKSPTFYGKTVEVGPLANMLVKLAAGRESTQNKLNEI
VAIYQKLTGNTLEVAQLHSTLGRIIGRTVHCCELQDILQNQYSALITNIG
KGDHTTFVKPNIPATGEFKGVGFLEAPRGMLSHWMVIKDGIISNYQAVVP
STWNSGPRNFNDDVGPYEQSLVGTPVADPNKPLEVVRTIHSFDPCMACAV
H
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6ehs Chain T Residue 303 [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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PDB6ehs The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		R59 H214
Binding residue
(residue number reindexed from 1)		R58 H213
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E14 C61 C64 H68 R479 S502 C546 C549
Catalytic site (residue number reindexed from 1) E13 C60 C63 H67 R478 S501 C545 C548
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6ehs, PDBe:6ehs, PDBj:6ehs
PDBsum6ehs
PubMed29555844
UniProtP0ACE1|MBHM_ECO57 Hydrogenase-2 large chain (Gene Name=hybC)

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