Structure of PDB 4r0v Chain A Binding Site BS01

Receptor Information
>4r0v Chain A (length=419) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSHVQQALAELAKPKDDPTRKHVCVQVAPAVRVAIAETLGLAPGATTPKQ
LAEGLRRLGFDEVFDTLFGADLTIMEEGSELLHRLTEHLEAHPHSDEPLP
MFTSCCPGWIAMLEKSYPDLIPYVSSCKSPQMMLAAMVKSYLAEKKGIAP
KDMVMVSIMPCTRKQSEADRDWFCVDADPTLRQLDHVITTVELGNIFKER
GINLAELPEGEWDNPMGVGSGAGVLFGTTGGVMEAALRTAYELFTGTPLP
RLSLSEVRGMDGIKETNITMVPAPGSKFEELLKHAAAHGTPGPLAWDGGA
GFTSEDGRGGITLRVAVANGLGNAKKLITKMQAGEAKYDFVEIMACPAGC
VGGGGQPRSTDKAITQKRQAALYNLDEKSTLRRSHENPSIRELYDTYLGE
PLGHKAHELLHTHYVAGGV
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 chain4r0v Chain A Residue 601 [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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PDB4r0v [FeFe]-Hydrogenase Oxygen Inactivation Is Initiated at the H Cluster 2Fe Subcluster.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		C170 C225 A416 C417 G420 C421
Binding residue
(residue number reindexed from 1)		C106 C161 A345 C346 G349 C350
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E141 E144 C169 S189 K228 E231 W236 C421
Catalytic site (residue number reindexed from 1) E77 E80 C105 S125 K164 E167 W172 C350
Enzyme Commision number 1.18.99.1: Transferred entry: 1.12.7.2.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:4r0v, PDBe:4r0v, PDBj:4r0v
PDBsum4r0v
PubMed25579778
UniProtQ9FYU1

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