Structure of PDB 3ro0 Chain B Binding Site BS01

Receptor Information
>3ro0 Chain B (length=209) Species: 1390 (Bacillus amyloliquefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKKVLLTGFDPFGGETVNPSWEAVKRLNGAAEGPASIVSEQVPTVFYKS
LAVLREAMKKHQPDIIICVGQAGGRMQITPERVAINLNEARIPDNEGNQP
VGEDISQGGPAAYWTGLPIKRIVEEIKKEGIPAAVSYTAGTFVCNHLFYG
LMDEISRHHPHIRGGFIHIPYIPEQTLQKSAPSLSLDHITKALKIAAVTA
AAHEDDIET
Ligand information
Ligand IDTPT
InChIInChI=1S/C15H11N3.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h1-11H;1H;/q;;+2/p-1
InChIKeyXTQMQLRZXBEQCS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl
CACTVS 3.370Cl[Pt+]|1|2|n3ccccc3c4cccc(n|14)c5ccccn|25
ACDLabs 12.01Cl[Pt+]35n1ccccc1c4cccc(c2ccccn23)n45
FormulaC15 H11 Cl N3 Pt
Name2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride
ChEMBL
DrugBankDB01912
ZINC
PDB chain3ro0 Chain B Residue 481 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ro0 Terpyridine platinum(II) complexes inhibit cysteine proteases by binding to active-site cysteine.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		F10 F13 T45 A139 C144 H168
Binding residue
(residue number reindexed from 1)		F10 F13 T45 A139 C144 H168
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E81 R91 C144 H168
Catalytic site (residue number reindexed from 1) E81 R91 C144 H168
Enzyme Commision number 3.4.19.3: pyroglutamyl-peptidase I.
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
GO:0016920 pyroglutamyl-peptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ro0, PDBe:3ro0, PDBj:3ro0
PDBsum3ro0
PubMed21875148
UniProtP46107|PCP_BACAM Pyrrolidone-carboxylate peptidase (Gene Name=pcp)

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