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BioLiP

Structure of PDB 1dkp Chain A Binding Site BS01

Receptor Information

>1dkp Chain A (length=410) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QSEPELKLESVVIVSRAGVRAPTKATQLMQDVTPDAWPTWPVKLGWLTPR
GGELIAYLGHYQRQRLVADGLLAKKGCPQSGQVAIIADVDERTRKTGEAF
AAGLAPDCAITVHTQTDTSSPDPLFNPLKTGVCQLDNANVTDAILSRAGG
SIADFTGHRQTAFRELERVLNFPQSNLCLKREKQDESCSLTQALPSELKV
SADNVSLTGAVSLASMLTEIFLLQQAQGMPEPGWGRITDSHQWNTLLSLH
NAQFYLLQRTPEVARSRATPLLDLIKTALTPHPPQKQAYGVTLPTSVLFI
AGHDTNLANLGGALELNWTLPGQPDNTPPGGELVFERWRRLSDNSQWIQV
SLVFQTLQQMRDKTPLSLNTPPGEVKLTLAGCEERNAQGMCSLAGFTQIV
NEARIPACSL

Ligand information

Ligand ID

IHP

InChI

InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-

InChIKey

IMQLKJBTEOYOSI-GPIVLXJGSA-N

SMILES

Software	SMILES
CACTVS 3.385	O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385	O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O

Formula

C6 H18 O24 P6

Name

INOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE

PDB chain

1dkp Chain A Residue 550 [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	1dkp Crystal structures of Escherichia coli phytase and its complex with phytate.
Resolution	2.28 Å
Binding residue (original residue number in PDB)	R16 R20 T23 K24 R92 M216 F254 H303 D304 T305
Binding residue (residue number reindexed from 1)	R16 R20 T23 K24 R92 M216 F254 H303 D304 T305
Annotation score	5

Enzymatic activity

Enzyme Commision number

3.1.3.-
3.6.1.-

Gene Ontology

	Molecular Function
GO:0003924	GTPase activity
GO:0003993	acid phosphatase activity
GO:0008252	nucleotidase activity
GO:0008707	4-phytase activity
GO:0016787	hydrolase activity
GO:0050308	sugar-phosphatase activity
GO:0052745	inositol phosphate phosphatase activity

	Biological Process
GO:0016036	cellular response to phosphate starvation
GO:0071454	cellular response to anoxia

	Cellular Component
GO:0030288	outer membrane-bounded periplasmic space
GO:0042597	periplasmic space

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Molecular Function

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Cellular Component

External links

PDB	RCSB:1dkp, PDBe:1dkp, PDBj:1dkp
PDBsum	1dkp
PubMed	10655611
UniProt	P07102\|PPA_ECOLI Phytase AppA (Gene Name=appA)

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