Structure of PDB 2o2z Chain A Binding Site BS01

Receptor Information
>2o2z Chain A (length=310) Species: 86665 (Halalkalibacterium halodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMKKKNVIVFGGGTGLSVLLRGLKTFPVSITAIVTVADDGGSSGRLRKEL
DIPPPGDVRNVLVALSEVEPLLEQLFQHRFENGGLSGHSLGNLLLAGMTS
ITGDFARGISEMSKVLNVRGKVLPASNRSIILHGEMEDGTIVTGESSIPK
AGKKIKRVFLTPKDTKPLREGLEAIRKADVIVIGPGSLYTSVLPNLLVPG
ICEAIKQSTARKVYICNVMTQNGETDGYTASDHLQAIMDHCGVGIVDDIL
VHGEPISDTVKAKYAKEKAEPVIVDEHKLKALGVGTISDYFVLEQVLRHN
ASKVSEAILE
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain2o2z Chain A Residue 400 [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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PDB2o2z Crystal structure of hypothetical protein (NP_244435.1) from Bacillus halodurans at 2.60 A resolution
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T13 G14 G186 N217 V218 M219 Q221 K263 Y264 E267 V298 R300 H301
Binding residue
(residue number reindexed from 1)		T14 G15 G186 N217 V218 M219 Q221 K263 Y264 E267 V296 R298 H299
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0043743 LPPG:FO 2-phospho-L-lactate transferase activity
Biological Process
GO:0008360 regulation of cell shape
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2o2z, PDBe:2o2z, PDBj:2o2z
PDBsum2o2z
PubMed
UniProtQ9K706|GNGF_HALH5 Gluconeogenesis factor (Gene Name=BH3568)

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