Structure of PDB 1z62 Chain A Binding Site BS02

Receptor Information
>1z62 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
GAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDGGYIQAVLDR
NLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSTNFDA
FPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHT
VLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRM
SLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHK
FQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDE
AFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLL
NCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGD
VVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGN
MKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNA
QEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYE
EYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVE
PSRQRLPAP
Ligand information
Ligand IDIAA
InChIInChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+
InChIKeyBFQRPTKOSYMPOL-LALPNIDTSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO\N=C\1C2=CC=CCC2=NC\1=C3\C(=O)N=C4CC=CC=C34
OpenEye OEToolkits 1.5.0C1C=CC=C2C1=NC(=C3C4=CC=CCC4=NC3=O)C2=NOCC(=O)O
OpenEye OEToolkits 1.5.0C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O
CACTVS 3.341OC(=O)CON=C1C2=CC=CCC2=NC1=C3C(=O)N=C4CC=CC=C34
ACDLabs 10.04O=C(O)CO\N=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O
FormulaC18 H13 N3 O4
Name({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID;
2-{O-[2'-(2-OXO-(2H3H)INDOLE-3-YLIDENE)-(2'H3'H)INDOLE-3'-YLIDENE]-AMINOOXY}-ACETATE
ChEMBL
DrugBankDB07949
ZINCZINC000095920659
PDB chain1z62 Chain A Residue 990 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z62 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
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W67 I68 Q71 Q72 R193 R310
Binding residue
(residue number reindexed from 1)		W56 I57 Q60 Q61 R182 R291
Annotation score1
Binding affinityMOAD: Ki=16uM
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1z62, PDBe:1z62, PDBj:1z62
PDBsum1z62
PubMed
UniProtP00489|PYGM_RABIT Glycogen phosphorylase, muscle form (Gene Name=PYGM)

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