Structure of PDB 5kvs Chain A Binding Site BS03

Receptor Information
>5kvs Chain A (length=353) Species: 630 (Yersinia enterocolitica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPKQRVLIVGAKFGEMYLNAFMQPPEGLELVGLLAQGSARSRELAHAFGI
PLYTSPEQITGMPDIACIVVRSTVAGGAGTQLARHFLARGVHVIQEHPLH
PDDISSLQTLAQEQGCCYWINTFYPHTRAGRTWLRDAQQLRRCLAKTPPV
VHATTSRQLLYSTLDLLLLALGVDTAAVECDVVGSFSDFHCLRLFWPEGE
ACLLLQRYLDPDDPDMHSLIMHRLLLGWPEGHLSLEASYGPVIWSSSLFV
ADHQENAHSLYRRPEILRDPPGLTRSAAPLSWRDCCETVGPEGVSWLLHQ
LRSHLAGEHPPVACQNVHQIALSRLWQQILRKTGNAEIRRLTPPHHDRLA
GFY
Ligand information
Ligand ID6XR
InChIInChI=1S/C13H10N2O3S2/c16-10-4-2-1-3-7(10)11-14-8(5-19-11)12-15-9(6-20-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m0/s1
InChIKeyXVWLTTDUJXRGEJ-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc(c(c1)c2nc(cs2)C3=NC(CS3)C(=O)O)O
CACTVS 3.385OC(=O)[C@@H]1CSC(=N1)c2csc(n2)c3ccccc3O
OpenEye OEToolkits 2.0.5c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O
CACTVS 3.385OC(=O)[CH]1CSC(=N1)c2csc(n2)c3ccccc3O
FormulaC13 H10 N2 O3 S2
Name(4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000036422191
PDB chain5kvs Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5kvs Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis.
Resolution1.28 Å
Binding residue
(original residue number in PDB)		L252 L264
Binding residue
(residue number reindexed from 1)		L248 L260
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:5kvs, PDBe:5kvs, PDBj:5kvs
PDBsum5kvs
PubMed27601130
UniProtO54512

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