Structure of PDB 3lx4 Chain B Binding Site BS01

Receptor Information
>3lx4 Chain B (length=407) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSHVQQALAELAKPKDDPTRKHVCVQVAPAVRVAIAETLGLAPGATTPKQ
LAEGLRRLGFDEVFDTLFGADLTIMEEGSELLHRLTEHLEAEPLPMFTSC
CPGWIAMLEKSYPDLIPYVSSCKSPQMMLAAMVKSYLAEKKGIAPKDMVM
VSIMPCTRKQSEADRDWFCVDTLRQLDHVITTVELGNIFKERGINLAELP
EGEWDNPMGVGSGAGVLFGTTGGVMEAALRTAYELFTGTPLPRLSLSEVR
GMDGIKETNITMVPAPGSKFEELLKHRAAGPLAWDGGAGFTSEDGRGGIT
LRVAVANGLGNAKKLITKMQAGEAKYDFVEIMACPAGCVGGGGQPRSTDK
AITQKRQAALYNLDEKSTLRRSHENPSIRELYDTYLGEPLGHKAHELLHT
HYVAGGV
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 chain3lx4 Chain B Residue 458 [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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PDB3lx4 Stepwise [FeFe]-hydrogenase H-cluster assembly revealed in the structure of HydA(DeltaEFG).
Resolution1.97 Å
Binding residue
(original residue number in PDB)		C130 C185 R187 M375 A376 C377 C381
Binding residue
(residue number reindexed from 1)		C101 C156 R158 M332 A333 C334 C338
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E101 E104 C129 S149 K188 E191 W196 C381
Catalytic site (residue number reindexed from 1) E77 E80 C100 S120 K159 E162 W167 C338
Enzyme Commision number 1.18.99.1: Transferred entry: 1.12.7.2.
External links