Structure of PDB 6tjr Chain A Binding Site BS01

Receptor Information
>6tjr Chain A (length=340) Species: 53399 (Hyphomicrobium denitrificans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPILVVGGGPAGLAATHALANVGQPSVLVEKRDRLGGAPIFSGYAKLVPS
GRWANEAIGGMVSRIETDSLISIKTNTTVVSFDGDPNNFTAKLSDGTSID
CASAILTTGFSHFDSVNKPEWGFGMFPDVVTTTQVEQMISSGKGVRCLSD
GRKPKRVAILLCVGSRDRQIGREWCSKICCTVSANLAMEIREELPDCHVY
IYYMDIRTFGHYESDYYWRSQEEFKVKYIKARIAEVTSDGKQLIVKGEDT
LVKRPITIPFDMVVHAIGMDPNVDNMTISAIFGVELHKHGYIARKDTYGL
MGATSRPGVFVAGSAIGPETIDDSIAQANAAAMSALSLGR
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 chain6tjr Chain A Residue 401 [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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PDB6tjr Structural and spectroscopic characterization of a HdrA-like subunit from Hyphomicrobium denitrificans.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		C163 S166 R167 C176 S177 K178 C180 C181 R208
Binding residue
(residue number reindexed from 1)		C162 S165 R166 C175 S176 K177 C179 C180 R207
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:6tjr, PDBe:6tjr, PDBj:6tjr
PDBsum6tjr
PubMed32750208
UniProtD8JT26

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