Structure of PDB 1qf4 Chain A

Receptor sequence

>1qf4A (length=431) Species: 562 (Escherichia coli) [Search protein sequence]

GNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKT
VLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLS
EACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGD
LFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSM
VVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVAT
GSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGAT
TGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMP
DGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIK
RIEELTGVPIDIISTGPDRTETMILRDPFDA

3D structure

PDB

1qf4 An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase

Chain

Resolution

2.2 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D13 K16 G40 H41 Q224
Catalytic site (residue number reindexed from 1)	D13 K16 G40 H41 Q224
Enzyme Commision number	6.3.4.4: adenylosuccinate synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	PO4	A	G12 D13 K16 A39 G40 H41 Q224	G12 D13 K16 A39 G40 H41 Q224
BS02	MG	A	D13 G40	D13 G40
BS03	GDP	A	D13 E14 G15 K16 G17 G40 H41 T42 K331 D333 S414 G416 P417	D13 E14 G15 K16 G17 G40 H41 T42 K331 D333 S414 G416 P417
BS04	RPD	A	D13 N38 G40 G127 T128 T129 Q224 L228 V238 V273 G298 A299 T300 T301 R303	D13 N38 G40 G127 T128 T129 Q224 L228 V238 V273 G298 A299 T300 T301 R303	MOAD: ic50=0.665uM PDBbind-CN: -logKd/Ki=6.18,IC50=0.665uM

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0000287	magnesium ion binding
GO:0004019	adenylosuccinate synthase activity
GO:0005515	protein binding
GO:0005525	GTP binding
GO:0016874	ligase activity
GO:0046872	metal ion binding
GO:0097216	guanosine tetraphosphate binding

	Biological Process
GO:0006164	purine nucleotide biosynthetic process
GO:0006974	DNA damage response
GO:0015949	nucleobase-containing small molecule interconversion
GO:0044208	'de novo' AMP biosynthetic process
GO:0046040	IMP metabolic process
GO:0046086	adenosine biosynthetic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0016020	membrane

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:1qf4, PDBe:1qf4, PDBj:1qf4
PDBsum	1qf4
PubMed	10556888
UniProt	P0A7D4\|PURA_ECOLI Adenylosuccinate synthetase (Gene Name=purA)

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