Structure of PDB 4xz2 Chain A Binding Site BS02

Receptor Information

>4xz2 Chain A (length=708) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SAIGVLTSGGDAQGMNAAVRAVVRMGIYVGAKVYFIYEGYQGMVDGGSNI
AEADWESVQAFRTREGRLKAACNLLQRGITNLCVIGGDGSLTGANLFRKE
WSGLLEELARNGQIDKEAVQKYAYLNVVGMVGSIMTIGTDSALHRIIEVV
DAIMTTAQSHQRTFVLEVMGRHCGYLALVSALACGADWVFLPESPPEEGW
EEQMCVKLSENRARKKRLNIIIVAEGAIDTQNKPITSEKIKELVVTQLGY
DTRVTILGHVQRGGTPSAFDRILASRMGVEAVIALLEATPDTPACVVSLN
GNHAVRLPLMECVQMTQDVQKAMDERRFQDAVRLRGRSFAGNLNTYKRLA
IKLPDDQIPKTNCNVAVINVGAPAAGMNAAVRSAVRVGIADGHRMLAIYD
GFDGFAKGQIKEIGWTDVGGWTGQGGSILGTKRVLPGKYLEEIATQMRTH
SINALLIIGGFEAYLGLLELSAAREKHEEFCVPMVMVPATVSNNVPGSDF
SIGADTALNTITDTCDRIKQSASGTKRRVFIIETMGGYCGYLANMGGLAA
GADAAYIFEEPFDIRDLQSNVEHLTEKMKTTIQRGLVLRNESCSENYTTD
FIYQLYSEEGKGVFDCRKNVLGHMQQGGAPSPFDRNFGTKISARAMEWIT
AKLKEAFTTDDSICVLGISKRNVIFQPVAELKKQTDFEHRIPKEQWWLKL
RPLMKILA

Ligand information

Ligand ID

FBP

InChI

InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1

InChIKey

RNBGYGVWRKECFJ-ARQDHWQXSA-N

SMILES

Software	SMILES
CACTVS 3.341	O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O
CACTVS 3.341	O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O

Formula

C6 H14 O12 P2

Name

1,6-di-O-phosphono-beta-D-fructofuranose;
BETA-FRUCTOSE-1,6-DIPHOSPHATE;
FRUCTOSE-1,6-BISPHOSPHATE;
1,6-di-O-phosphono-beta-D-fructose;
1,6-di-O-phosphono-D-fructose;
1,6-di-O-phosphono-fructose

PDB chain

4xz2 Chain A Residue 802 [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	4xz2 Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Resolution	2.67 Å
Binding residue (original residue number in PDB)	A420 R481 V539 S540 M583 E639 H671 Q674
Binding residue (residue number reindexed from 1)	A372 R433 V491 S492 M535 E591 H623 Q626
Annotation score	5

Enzymatic activity

Catalytic site (original residue number in PDB)	G34 D128 G172 S173 R219
Catalytic site (residue number reindexed from 1)	G10 D88 G132 S133 R171
Enzyme Commision number	2.7.1.11: 6-phosphofructokinase.

Gene Ontology

	Molecular Function
GO:0003872	6-phosphofructokinase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016208	AMP binding
GO:0016301	kinase activity
GO:0042802	identical protein binding
GO:0044877	protein-containing complex binding
GO:0045296	cadherin binding
GO:0046872	metal ion binding
GO:0048029	monosaccharide binding
GO:0070095	fructose-6-phosphate binding

	Biological Process
GO:0006002	fructose 6-phosphate metabolic process
GO:0006096	glycolytic process
GO:0016310	phosphorylation
GO:0030388	fructose 1,6-bisphosphate metabolic process
GO:0061621	canonical glycolysis
GO:1990830	cellular response to leukemia inhibitory factor

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005945	6-phosphofructokinase complex
GO:0016020	membrane
GO:0070062	extracellular exosome

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:4xz2, PDBe:4xz2, PDBj:4xz2
PDBsum	4xz2
PubMed	26205495
UniProt	Q01813\|PFKAP_HUMAN ATP-dependent 6-phosphofructokinase, platelet type (Gene Name=PFKP)

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