Structure of PDB 5maa Chain B Binding Site BS03

Receptor Information
>5maa Chain B (length=420) Species: 1150621 (Sulfurospirillum multivorans DSM 12446) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKP
WFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNI
YPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAG
ADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIET
DDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMW
LCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVR
LTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGRS
IHNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKNITEVWDGKIN
TYGLDADHFRDTVSFRKDRV
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 chain5maa Chain B Residue 502 [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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PDB5maa Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.686 Å
Binding residue
(original residue number in PDB)		C339 P340 S341 I344 C372 C383 G384 C386
Binding residue
(residue number reindexed from 1)		C334 P335 S336 I339 C367 C378 G379 C381
Annotation score4
External links