Structure of PDB 5m8y Chain B Binding Site BS02

Receptor Information

>5m8y Chain B (length=419) Species: 1150621 (Sulfurospirillum multivorans DSM 12446) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKPW
FLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNIY
PNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGA
DLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIETD
DELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMWL
CQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRL
TKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGRSI
HNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKNITEVWDGKINT
YGLDADHFRDTVSFRKDRV

Ligand information

InChI=1S/4Fe.4S

LJBDFODJNLIPKO-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2

Formula

Fe4 S4

Name

IRON/SULFUR CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

5m8y Chain B Residue 502 [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	5m8y Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution	1.857 Å
Binding residue (original residue number in PDB)	C339 P340 S341 I344 C372 C383 G384 C386
Binding residue (residue number reindexed from 1)	C333 P334 S335 I338 C366 C377 G378 C380
Annotation score	4

External links

PDB	RCSB:5m8y, PDBe:5m8y, PDBj:5m8y
PDBsum	5m8y
PubMed	28671181

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