Structure of PDB 6gnf Chain A Binding Site BS03

Receptor Information
>6gnf Chain A (length=522) Species: 197335 (Cyanobacterium sp. CLg1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMLNICFVSTEVAPYSKTGGLGDVTEGLPEELAKIGHKVCTVAPRFDQYE
DAWDTEIIQPVNYGQEKTNVRYFHSYKKGVDHIWVDHHVYLSKTPLVNKK
LYGPKDSVDYIDNVERFAMLSQAALAVPLLVPLGAKGSQGVMGENTIFVC
NDWHTSLLPLYLKEYYQSQGIFVNAKTVMLLHNIAFQGRFPSSKFDALNL
PAKYLSDLSFNTQFAPPPLDEKTTEPITSPEPMYMLNWLKAGFLNCDQAL
TVSPNFAHEVTSSPMGGVELDAVARDVGLTGITNGTKIETWNPQKDKFIL
ANYNSRTINSGKKLCKVALQKECGLTVDPDIPLFGFIGRLENQKGADVII
AAMPKLKQLNCQVVILGIGSPKLEQELESVADKYPFAKGVARFDSKLAHF
ITAGADYCLMPSRFEPCGLNQLYAMMYGTIPVVAPVGGLVDTVPPQFGFL
MNKIPMPKIPGVTVSEELLQQGVDAMIVGMKKALQEYGTPKFKKMRLDCM
ANDVSWKKPAAKYVDIFEQLVN
Ligand information
Ligand IDAC1
InChIInChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1
InChIKeyRBZIIHWPZWOIDU-ZCGMLSCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO
ACDLabs 10.04OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
CACTVS 3.341C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O
FormulaC13 H23 N O8
Name4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose;
6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL;
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucose;
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-D-glucose;
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-glucose
ChEMBL
DrugBankDB02218
ZINCZINC000058638973
PDB chain6gnf Chain D Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6gnf Crystal Structures of theCatalyticDomain ofArabidopsis thalianaStarch Synthase IV, of Granule Bound Starch Synthase From CLg1 and of Granule Bound Starch Synthase I ofCyanophora paradoxaIllustrate Substrate Recognition in Starch Synthases.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G19 V23 D151 H181 N182 N283 R338 E414 P415 G417
Binding residue
(residue number reindexed from 1)		G20 V24 D152 H182 N183 N284 R339 E415 P416 G418
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.21: starch synthase.
2.4.1.242: NDP-glucose--starch glucosyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004373 alpha-1,4-glucan glucosyltransferase (UDP-glucose donor) activity
GO:0009011 alpha-1,4-glucan glucosyltransferase (ADP-glucose donor) activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005978 glycogen biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6gnf, PDBe:6gnf, PDBj:6gnf
PDBsum6gnf
PubMed30123236
UniProtV5SNJ5

[Back to BioLiP]