Structure of PDB 8qmk Chain A Binding Site BS05

Receptor Information
>8qmk Chain A (length=356) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWSHPQFEKASTGREILEKLERREFTREVLKEALSINDRGFNEALFKLAD
EIRRKYVGDEVHIRAIIEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIV
ERARLAVQFGAKTIVLQSGEDPYYMPDVISDIVKEIKKMGVAVTLSLGEW
PREYYEKWKEAGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKEL
GYETGAGSMVGLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLAN
EKKGDFTLTLKMVALTRILLPDSNIPATTAMGTIVPGGREITLRCGANVI
IPNWTPSPYRQLYQLYPGKISVFEKDTASIPSVMKMIELLGRKPGRDWGG
RKRVFE
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain8qmk Chain A Residue 511 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qmk Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3-cysteinate)FeII(CN)(CO)2 Complex-B from HydG to HydE.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		R159 T269 A270 Y306
Binding residue
(residue number reindexed from 1)		R169 T279 A280 Y316
Annotation score4
Enzymatic activity
Enzyme Commision number 1.8.-.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042364 water-soluble vitamin biosynthetic process
GO:0044272 sulfur compound biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8qmk, PDBe:8qmk, PDBj:8qmk
PDBsum8qmk
PubMed37962296
UniProtQ9X0Z6|HYDE_THEMA [FeFe] hydrogenase maturase subunit HydE (Gene Name=TM_1269)

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