Structure of PDB 7yyl Chain D Binding Site BS01

Receptor Information

>7yyl Chain D (length=420) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DNRELWKVLNVDLEKHDEFLAPVPAVYRELFLNRPNRPRAMAYFDAVVGD
IHGIRVHELYNLKQEGKKVFATFCVYVPEEIINATGSACIGLCGGAQYTV
PAGETVLPRNLCPLIKSAMGFKIERICPYFQVADYVVGETTCDGKKKAWE
ILNEYIPVYVMELPQKKEERDRKFWEEEIKDFAQFVEEKTGVKLNAENLR
AGIEKINKKRKALKRLSDLRKHNPAPIHGLDVLLINQLAFFDDPERFATK
VNELCDELEERVAKGEGVVSKDAPRILITGTPQPIPHWKIHALIEGAGGV
VVGEETCIGERYFKDLVEPAADVEGMLKNIAARSLKVNCACFTPNTGRLE
DILSMVQKLQVDGVIHYSLQFCQPYGVESYLVGRELERRNIPFLKLESDF
SEEDQGQLKTRIEAFLEMIK

Ligand information

InChI=1S/8Fe.9S

CSVVAMDLRWBOEA-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4
OpenEye OEToolkits 2.0.6	S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71

Formula

Fe8 S9

Name

Double cubane cluster

ChEMBL

DrugBank

ZINC

PDB chain

7yyl Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7yyl Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein.
Resolution	3.25 Å
Binding residue (original residue number in PDB)	C75 Y77 C113 T142 C143 K146 C308 C340 C373 Y376
Binding residue (residue number reindexed from 1)	C74 Y76 C112 T141 C142 K145 C307 C339 C372 Y375
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016836	hydro-lyase activity

View graph for
Molecular Function

External links

PDB	RCSB:7yyl, PDBe:7yyl, PDBj:7yyl
PDBsum	7yyl
PubMed	35905315
UniProt	Q3AET9

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