Structure of PDB 1qnq Chain A Binding Site BS01

Receptor Information
>1qnq Chain A (length=344) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSFVTISGTQFNIDGKVGYFAGTNCYWCSFLTNHADVDSTFSHISSSGL
KVVRVWGFNDVNTQPSPGQIWFQKLSATGSTINTGADGLQTLDYVVQSAE
QHNLKLIIPFVNNWSDYGGINAYVNAFGGNATTWYTNTAAQTQYRKYVQA
VVSRYANSTAIFAWELGNEPRCNGCSTDVIVQWATSVSQYVKSLDSNHLV
TLGDEGLGLSTGDGAYPYTYGEGTDFAKNVQIKSLDFGTFHLYPDSWGTN
YTWGNGWIQTHAAACLAAGKPCVFEEYGAQQNPCTNEAPWQTTSLTTRGM
GGDMFWQWGDTFANGAQSNSDPYTVWYNSSNWQCLVKNHVDAIN
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 chain1qnq Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qnq The Three-Dimensional Structure of a Trichoderma Reesei Beta-Mannanase from Glycoside Hydrolase Family 5.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y243 S246 D321 Y323
Binding residue
(residue number reindexed from 1)		Y243 S246 D321 Y323
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.78: mannan endo-1,4-beta-mannosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1qnq, PDBe:1qnq, PDBj:1qnq
PDBsum1qnq
PubMed10666621
UniProtQ99036|MANA_HYPJR Mannan endo-1,4-beta-mannosidase A (Gene Name=man1)

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