Structure of PDB 6ehs Chain M Binding Site BS04

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6ehs Chain M Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E42 A498 H552
Binding residue
(residue number reindexed from 1)		E41 A497 H551
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

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Molecular Function
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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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