Structure of PDB 8kgb Chain D Binding Site BS03

Receptor Information

>8kgb Chain D (length=240) Species: 3702,4081 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

CSLNLQTEKLCLMPKHIALIMDGNRRWAKDKGLEVYEGHKHIIPKLKEIC
DISSKLGIQIITAFAFSTENWKRSKEEVDFLLSLFERSLKTEFQNKNNVR
ISIIGCKSDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATK
SIVNKAMNGLLDVEDINKNLFDQELESKCPNPDLLIRTGGEQRVSNFLLW
QLAYTEFYFTNTLFPDFGEEDLKEAIMNFQQRHRRFGGHT

Ligand information

Ligand ID

GST

InChI

InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+

InChIKey

AKIXWSDUEPPMKM-JXMROGBWSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C
CACTVS 3.341	CC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C
CACTVS 3.341	CC(C)=CCCC(/C)=C/CS[P@@](O)(=O)O[P](O)(O)=O
ACDLabs 10.04	O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)C)C

Formula

C10 H20 O6 P2 S

Name

GERANYL S-THIOLODIPHOSPHATE;
S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE

PDB chain

8kgb Chain D Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8kgb A versatile system for enzymatic synthesis of natural and unnatural polyisoprenoids on rubber particles
Resolution	2.32 Å
Binding residue (original residue number in PDB)	M85 D86 G87 N88 R89 R90 H103 A129 F130 R137 L145
Binding residue (residue number reindexed from 1)	M21 D22 G23 N24 R25 R26 H39 A65 F66 R73 L81
Annotation score	2

External links

PDB	RCSB:8kgb, PDBe:8kgb, PDBj:8kgb
PDBsum	8kgb
PubMed
UniProt	C1K5M2\|CPT1_SOLLC Dimethylallylcistransferase CPT1, chloroplastic (Gene Name=CPT1); Q56Y11

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