Structure of PDB 1n4q Chain B Binding Site BS03

Receptor Information
>1n4q Chain B (length=346) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVV
NKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPY
DSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEG
SENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLE
SHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKP
VDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHP
DALHAYFGICGLSLMEESGICKVHPALNVSTRTSERLRDLHQSWKT
Ligand information
Ligand IDMGM
InChIInChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+
InChIKeyOEMBPHBKZPOPBN-NWLVNBMCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CN(CCO[P@@](O)(=O)O[P](O)(O)=O)CC/C=C(C)/CC\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP(=O)(O)O)C)C)C
CACTVS 3.341CN(CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
ACDLabs 10.04O=P(OP(=O)(OCCN(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O)(O)O
FormulaC19 H37 N O7 P2
Name2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE;
3-AZAGERANYLGERANYL DIPHOSPHATE
ChEMBLCHEMBL71360
DrugBankDB08180
ZINC
PDB chain1n4q Chain B Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n4q Structure of mammalian protein geranylgeranyltransferase type-I
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y126 R173 H219 R263 K266 W275
Binding residue
(residue number reindexed from 1)		Y109 R156 H202 R246 K249 W258
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H219 R263 K266 D269 C271 Y272 K311 D318 H321
Catalytic site (residue number reindexed from 1) H202 R246 K249 D252 C254 Y255 K294 D301 H304
Enzyme Commision number 2.5.1.59: protein geranylgeranyltransferase type I.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004659 prenyltransferase activity
GO:0004661 protein geranylgeranyltransferase activity
GO:0004662 CAAX-protein geranylgeranyltransferase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0008318 protein prenyltransferase activity
GO:0036094 small molecule binding
GO:0042277 peptide binding
GO:0046872 metal ion binding
GO:1901363 heterocyclic compound binding
Biological Process
GO:0008284 positive regulation of cell population proliferation
GO:0018344 protein geranylgeranylation
GO:0034097 response to cytokine
GO:0045787 positive regulation of cell cycle
GO:0051771 negative regulation of nitric-oxide synthase biosynthetic process
Cellular Component
GO:0005953 CAAX-protein geranylgeranyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1n4q, PDBe:1n4q, PDBj:1n4q
PDBsum1n4q
PubMed14609943
UniProtP53610|PGTB1_RAT Geranylgeranyl transferase type-1 subunit beta (Gene Name=Pggt1b)

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