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Structure of PDB 8zoz Chain A Binding Site BS01

Receptor Information >8zoz Chain A (length=341) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVHTLVHLFKYD STHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKI DVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADV KATDQIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDH AHRDLRRARASGQNIIPTTSSALGALKRVMPKMEDRIDGYSIRVPTINVA AIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPY SLIVDLTQTMVVGHQAKVFAWYDNEWGYANRLLDLCDSFKS

Ligand information Ligand ID AMP InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChIKey UDMBCSSLTHHNCD-KQYNXXCUSA-N SMILES Software SMILES CACTVS 3.370 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O CACTVS 3.370 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O OpenEye OEToolkits 1.7.6 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N ACDLabs 12.01 O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O OpenEye OEToolkits 1.7.6 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N Formula C10 H14 N5 O7 P Name ADENOSINE MONOPHOSPHATE ChEMBL CHEMBL752 DrugBank DB00131 ZINC ZINC000003860156 PDB chain 8zoz Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 8zoz Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution. Resolution 3.2 Å Binding residue (original residue number in PDB) F9 G10 D36 I37 K88 T107 Binding residue (residue number reindexed from 1) F9 G10 D36 I37 K88 T107 Annotation score 3

Enzymatic activity Enzyme Commision number 1.2.1.-

Gene Ontology Molecular Function GO:0000166 nucleotide binding GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity GO:0016491 oxidoreductase activity GO:0051287 NAD binding

	Biological Process
GO:0006006	glucose metabolic process

	Cellular Component
GO:0005829	cytosol

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