Structure of PDB 2vzt Chain A Binding Site BS01

Receptor Information
>2vzt Chain A (length=850) Species: 31958 (Amycolatopsis orientalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNATPIPGYVIQSSAQVSDDSAVSKPGFPTSGWYPVSSRSTVYAGLLQNG
KYADPFYSTNMQNVPAAQFSVPWWYRTDLNVDDTSSRTYLDFSGVLSKAD
VWVNGTKVATKDQVNGAYTRHDLDITAQVHTGVNSVAFKVYPNDPNRDLS
MGWIDWAQTPPDQNMGIVRDVLVRRSGAVALRSAHVIQKLNSALDHADLT
VKADVRNDSANAVQTTVAGTVAGKPISQTVSLAAKERKTVTFPLVGLDRP
NVWWPAGMGGQHRYDLDLTASVGGTPSDAAKSKFGVRDVKATLNSSGGRQ
YSVNGKPLLIRGGGYTPDLFLRWNETAAADKLKYVLNLGLNTVRLEGHIE
PDEFFDIADDLGVLTMPGWECCDKWEGQVNGEEKGEPWVESDYPIAKASM
FSEAERLRDHPSVISFHIGSDFAPDRRIEQGYLDAMKAADFLLPVIPAAS
ARPSPITGASGMKMNGPYDYVPPVYWYDKSQKDRGGAWSFNSATSAGVDI
PTMDTLKRMMSASELDTMWKNPSAKQYHRSSSDTFGNLKLFGDALTKRYG
ASANLNDFVRKAQLSQYENVRAEFESHSRNYTDSTNPSTGLIYWMLNSPW
TSLHWQLFDAYMDQNGAYYGAKKANEPLHIQYSHDNRSVVVINQTSNAVS
GLTATTKLYNLDGTEKYSNTKTGLSVGALGAKATAVTVPAVSGLSTTYLA
KNVLTDSSGKEVSRNVYWLSTKADTLNWGGSDWYYTPQSAFADLSGLNNL
GQSAVGATANSVAGADGTTTTTVTLKNTSGGRLPAFYVDSKVVDSAGKPV
LPVEWNDNAVSLWPGETTTLTAKYRTADLKGSKPSVRISGWNTGTQTVPA
Ligand information
Ligand IDPNJ
InChIInChI=1S/C12H16N2O7/c13-9-11(17)10(16)8(5-15)21-12(9)20-7-3-1-6(2-4-7)14(18)19/h1-4,8-12,15-17H,5,13H2/t8-,9-,10-,11-,12-/m1/s1
InChIKeyZRNBGANFPXCMFT-LZQZFOIKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N
OpenEye OEToolkits 2.0.7c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)N
CACTVS 3.385N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
CACTVS 3.385N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+]([O-])=O
FormulaC12 H16 N2 O7
Name4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside;
PNP-BETA-D-GLUCOSAMINE;
4-nitrophenyl 2-amino-2-deoxy-beta-D-glucoside;
4-nitrophenyl 2-amino-2-deoxy-D-glucoside;
4-nitrophenyl 2-amino-2-deoxy-glucoside
ChEMBL
DrugBank
ZINC
PDB chain2vzt Chain A Residue 1901 [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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PDB2vzt The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D203 W204 E394 C419 D469 M512 Y516 W642 W653 W781
Binding residue
(residue number reindexed from 1)		D155 W156 E346 C371 D421 M464 Y468 W594 W605 W733
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.165: exo-1,4-beta-D-glucosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vzt, PDBe:2vzt, PDBj:2vzt
PDBsum2vzt
PubMed18976664
UniProtQ56F26|EBDG_AMYOR Exo-beta-D-glucosaminidase (Gene Name=csxA)

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