Structure of PDB 6ttl Chain A Binding Site BS02

Receptor Information
>6ttl Chain A (length=479) Species: 1520 (Clostridium beijerinckii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSQEDCIIQFEKFYIEYLLAKIKDGSYKNYEVVKEDITEMFNILNRISKG
VSNMREIYLLRNLAVTVKSKMNQKHEEIIDKFYEEIEEHIEEKKCYTSQC
NHLVKLTITKAISAGDNTMLFLRDLATPNKVVITQMAPAVRVAIGEAFGF
EPGENVEKKIAAGLRKLGVDYVFDTSWGADLTIMEEAAELQERLERHLKL
PILTSCCPSWIKFIEQNYGDMLDVPSSAKSPMEMFAIVAKEIWAKEKGLS
RDEVTSVAIMPCIAKKYEASRAEFSVDMNYDVDYVITTRELIKIFENSGI
NLKEIEDEEIDTVMGEYTGAGIIFGRTGGVIEAATRTALEKMTGERFDNI
EFEGLRGWDGFRVCELEAGDIKLRIGVAHGLREAAKMLDKIRSGEEFFHA
IEIMACVGGCIGGGGQPKTKGNKQAALQKRAEGLNNIDRSKTLRRSNENP
EVLAIYEKYLDHPLSNKAHELLHTVYFPR
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 chain6ttl Chain A Residue 701 [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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PDB6ttl A safety cap protects hydrogenase from oxygen attack.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C368 C423 A566 C567 G570 C571
Binding residue
(residue number reindexed from 1)		C207 C262 A405 C406 G409 C410
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E341 E344 C367 S387 K426 E429 E434 C571
Catalytic site (residue number reindexed from 1) E186 E189 C206 S226 K265 E268 E273 C410
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008901 ferredoxin hydrogenase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6ttl, PDBe:6ttl, PDBj:6ttl
PDBsum6ttl
PubMed33531463
UniProtA0A1I9RYV3

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