Structure of PDB 5obi Chain B Binding Site BS01

Receptor Information

>5obi 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

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

5obi Chain B Residue 501 [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	5obi Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans.
Resolution	1.599 Å
Binding residue (original residue number in PDB)	R291 M292 I296 F328 C329 C332 K333 K334 C335 C390 P391 F392
Binding residue (residue number reindexed from 1)	R286 M287 I291 F323 C324 C327 K328 K329 C330 C385 P386 F387
Annotation score	4

External links

PDB	RCSB:5obi, PDBe:5obi, PDBj:5obi
PDBsum	5obi
PubMed	29378885

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