Structure of PDB 5ma0 Chain A Binding Site BS01

Receptor Information
>5ma0 Chain A (length=441) Species: 1150621 (Sulfurospirillum multivorans DSM 12446) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVK
PWFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGN
IYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMA
GADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIE
TDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDM
WLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNV
RLTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGR
SIHNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKGNIWIHDGVE
WLIDNTRFLNITEVWDGKINTYGLDADHFRDTVSFRKDRVK
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 chain5ma0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5ma0 Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R291 M292 I296 C329 C332 K333 K334 C335 C390 P391 F392
Binding residue
(residue number reindexed from 1)		R287 M288 I292 C325 C328 K329 K330 C331 C386 P387 F388
Annotation score4
External links