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Structure of PDB 8ph1 Chain A Binding Site BS03

Receptor Information
>8ph1 Chain A (length=232) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDE
LLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAA
GVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAH
STDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKH
YPEAEVVIPGHGLPGGLDLLQHTANVVKAHKN
Ligand information
Ligand IDYMF
InChIInChI=1S/C21H25N5O4/c1-11(7-22)6-14-10-26(21(29)30-14)12(2)15-4-3-5-16-17(13-8-23-24-9-13)19(20(27)28)25-18(15)16/h3-5,8-9,11-12,14,25H,6-7,10,22H2,1-2H3,(H,23,24)(H,27,28)/t11-,12+,14-/m1/s1
InChIKeyOJYBICGUZCKJGO-MBNYWOFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CC1CN(C(=O)O1)C(C)c2cccc3c2[nH]c(c3c4c[nH]nc4)C(=O)O)CN
CACTVS 3.385C[CH](CN)C[CH]1CN([CH](C)c2cccc3c2[nH]c(C(O)=O)c3c4c[nH]nc4)C(=O)O1
CACTVS 3.385C[C@@H](CN)C[C@@H]1CN([C@@H](C)c2cccc3c2[nH]c(C(O)=O)c3c4c[nH]nc4)C(=O)O1
OpenEye OEToolkits 2.0.7C[C@H](C[C@@H]1CN(C(=O)O1)[C@@H](C)c2cccc3c2[nH]c(c3c4c[nH]nc4)C(=O)O)CN
FormulaC21 H25 N5 O4
Name7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8ph1 Chain A Residue 303 [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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PDB8ph1 Crystal structure of the metallo-beta-lactamase VIM1 with 3708
Resolution1.33 Å
Binding residue
(original residue number in PDB)		F62 Y67 W87 H116 H179 C198 G209 N210 A212 H240
Binding residue
(residue number reindexed from 1)		F33 Y38 W58 H87 H150 C169 G180 N181 A183 H211
Annotation score1
External links

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