Structure of PDB 2gcq Chain A

Receptor sequence

>2gcqA (length=431) Species: 562 (Escherichia coli) [Search protein sequence]

GNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKT
VLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLS
EACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGD
LFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSM
VVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVAT
GSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGAT
TGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMP
DGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIK
RIEELTGVPIDIISTGPDRTETMILRDPFDA

3D structure

PDB

2gcq Cavitation as a mechanism of substrate discrimination by adenylosuccinate synthetases

Chain

Resolution

2.0 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	MG	A	D13 G40	D13 G40
BS02	DOI	A	G12 D13 K16 A39 G40 H41 G127 T128 T129 A223 Q224 L228 T239 V273	G12 D13 K16 A39 G40 H41 G127 T128 T129 A223 Q224 L228 T239 V273
BS03	GDP	A	D13 G15 K16 G17 G40 H41 T42 R305 K331 D333 S414 G416 P417	D13 G15 K16 G17 G40 H41 T42 R305 K331 D333 S414 G416 P417
BS04	HDA	A	D13 G40 G298 A299 T300 T301 R303	D13 G40 G298 A299 T300 T301 R303	MOAD: Ki=17uM

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:2gcq, PDBe:2gcq, PDBj:2gcq
PDBsum	2gcq
PubMed	16981730
UniProt	P0A7D4\|PURA_ECOLI Adenylosuccinate synthetase (Gene Name=purA)

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