Structure of PDB 1uzu Chain A Binding Site BS02

Receptor Information
>1uzu Chain A (length=809) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRD
HLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEA
TYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRY
EFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQ
GAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFGYIQAVLDR
NLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSTNFDA
FPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHT
VLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRM
SLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHK
FQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDE
AFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLL
NCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGD
VVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGN
MKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNA
QEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYE
EYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVE
PSRQRLPAP
Ligand information
Ligand IDINR
InChIInChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13-
InChIKeyIHBOEHLUIBMBMY-YPKPFQOOSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)c1cc\2c(cc1)NC(=O)C/2=C4\C(=O)c3ccccc3N4
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)S(=O)(=O)O)N2
CACTVS 3.341O[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1
CACTVS 3.341O[S](=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2
FormulaC16 H10 N2 O5 S
Name2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID;
INDIRUBIN-5-SULPHONATE
ChEMBLCHEMBL1208600
DrugBankDB02519
ZINC
PDB chain1uzu Chain A Residue 1000 [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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PDB1uzu Binding of the potential antitumour agent indirubin-5-sulphonate at the inhibitor site of rabbit muscle glycogen phosphorylase b. Comparison with ligand binding to pCDK2-cyclin A complex.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N282 F285 A610 G612 Y613
Binding residue
(residue number reindexed from 1)		N263 F266 A582 G584 Y585
Annotation score1
Binding affinityMOAD: Ki=13.8uM
Enzymatic activity
Catalytic site (original residue number in PDB) H377 K568 R569 K574 T676 K680
Catalytic site (residue number reindexed from 1) H349 K540 R541 K546 T648 K652
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:1uzu, PDBe:1uzu, PDBj:1uzu
PDBsum1uzu
PubMed15153119
UniProtP00489|PYGM_RABIT Glycogen phosphorylase, muscle form (Gene Name=PYGM)

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