Structure of PDB 1axr Chain A Binding Site BS02

Receptor Information
>1axr Chain A (length=829) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHL
VGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATY
QLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEF
GIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGA
KWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYI
QAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKS
SKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDK
AWEVTVKTCAYTNHTVLPEALERWPVHLLETLLPRHLQIIYEINQRFLNR
VAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEIL
KKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYIS
DLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLF
DVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGY
HMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLS
EQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGM
RVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVN
MLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSS
DRTIAQYAREIWGVEPSRQRLPAPDEKIP
Ligand information
Ligand IDHTP
InChIInChI=1S/C7H11N3O4/c11-2-4-6(13)7(14)5(12)3-1-8-9-10(3)4/h1,4-7,11-14H,2H2/p+1/t4-,5+,6-,7-/m1/s1
InChIKeyQTNWFPNNMUCBLD-XZBKPIIZSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2[n+]([nH]n1)C(C(C(C2O)O)O)CO
ACDLabs 10.04OC2c1cnn[n+]1C(C(O)C2O)CO
CACTVS 3.341OC[CH]1[CH](O)[CH](O)[CH](O)c2cn[nH][n+]12
CACTVS 3.341OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2cn[nH][n+]12
OpenEye OEToolkits 1.5.0c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
FormulaC7 H12 N3 O4
Name4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM
ChEMBL
DrugBank
ZINCZINC000033821361
PDB chain1axr Chain A Residue 998 [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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PDB1axr ?
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L136 L139 N284 H377 N484 E672 S674 G675
Binding residue
(residue number reindexed from 1)		L123 L126 N271 H364 N471 E659 S661 G662
Annotation score1
Binding affinityMOAD: Ki=540uM
PDBbind-CN: -logKd/Ki=3.27,Ki=540uM
Enzymatic activity
Catalytic site (original residue number in PDB) H377 K568 R569 K574 T676 K680
Catalytic site (residue number reindexed from 1) H364 K555 R556 K561 T663 K667
Enzyme Commision number 2.4.1.1: glycogen phosphorylase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0008184 glycogen phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005977 glycogen metabolic process
GO:0005980 glycogen catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0098723 skeletal muscle myofibril

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1axr, PDBe:1axr, PDBj:1axr
PDBsum1axr
PubMed
UniProtP00489|PYGM_RABIT Glycogen phosphorylase, muscle form (Gene Name=PYGM)

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