Structure of PDB 5ma1 Chain B Binding Site BS01

Receptor Information

>5ma1 Chain B (length=416) Species: 1150621 (Sulfurospirillum multivorans DSM 12446) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKPWFLS
AYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNIYPNR
FFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLV
GVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIETDDEL
IIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMWLCQF
IRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRLTKV
FTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGRSIHNQ
SGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKNITEVWDGKINTYGL
DADHFRDTVSFRKDRV

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

5ma1 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	5ma1 Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution	2.498 Å
Binding residue (original residue number in PDB)	S290 R291 M292 I296 F328 C329 C332 C335 C390 P391 F392
Binding residue (residue number reindexed from 1)	S281 R282 M283 I287 F319 C320 C323 C326 C381 P382 F383
Annotation score	4

External links

PDB	RCSB:5ma1, PDBe:5ma1, PDBj:5ma1
PDBsum	5ma1
PubMed	28671181

[Back to BioLiP]