Structure of PDB 5ma0 Chain A Binding Site BS02

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

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

5ma0 Chain A 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	5ma0 Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	C339 P340 I344 C372 C383 C386
Binding residue (residue number reindexed from 1)	C335 P336 I340 C368 C379 C382
Annotation score	4

External links

PDB	RCSB:5ma0, PDBe:5ma0, PDBj:5ma0
PDBsum	5ma0
PubMed	28671181

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