Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5NXA

Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL)in complex with its products AICAR and fumarate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
A	0005829	cellular_component	cytosol
A	0006164	biological_process	purine nucleotide biosynthetic process
A	0006167	biological_process	AMP biosynthetic process
A	0006189	biological_process	'de novo' IMP biosynthetic process
A	0009152	biological_process	purine ribonucleotide biosynthetic process
A	0016829	molecular_function	lyase activity
A	0044208	biological_process	'de novo' AMP biosynthetic process
A	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
B	0005829	cellular_component	cytosol
B	0006164	biological_process	purine nucleotide biosynthetic process
B	0006167	biological_process	AMP biosynthetic process
B	0006189	biological_process	'de novo' IMP biosynthetic process
B	0009152	biological_process	purine ribonucleotide biosynthetic process
B	0016829	molecular_function	lyase activity
B	0044208	biological_process	'de novo' AMP biosynthetic process
B	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
C	0000166	molecular_function	nucleotide binding
C	0003824	molecular_function	catalytic activity
C	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
C	0005829	cellular_component	cytosol
C	0006164	biological_process	purine nucleotide biosynthetic process
C	0006167	biological_process	AMP biosynthetic process
C	0006189	biological_process	'de novo' IMP biosynthetic process
C	0009152	biological_process	purine ribonucleotide biosynthetic process
C	0016829	molecular_function	lyase activity
C	0044208	biological_process	'de novo' AMP biosynthetic process
C	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
D	0000166	molecular_function	nucleotide binding
D	0003824	molecular_function	catalytic activity
D	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
D	0005829	cellular_component	cytosol
D	0006164	biological_process	purine nucleotide biosynthetic process
D	0006167	biological_process	AMP biosynthetic process
D	0006189	biological_process	'de novo' IMP biosynthetic process
D	0009152	biological_process	purine ribonucleotide biosynthetic process
D	0016829	molecular_function	lyase activity
D	0044208	biological_process	'de novo' AMP biosynthetic process
D	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
E	0000166	molecular_function	nucleotide binding
E	0003824	molecular_function	catalytic activity
E	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
E	0005829	cellular_component	cytosol
E	0006164	biological_process	purine nucleotide biosynthetic process
E	0006167	biological_process	AMP biosynthetic process
E	0006189	biological_process	'de novo' IMP biosynthetic process
E	0009152	biological_process	purine ribonucleotide biosynthetic process
E	0016829	molecular_function	lyase activity
E	0044208	biological_process	'de novo' AMP biosynthetic process
E	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
F	0000166	molecular_function	nucleotide binding
F	0003824	molecular_function	catalytic activity
F	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
F	0005829	cellular_component	cytosol
F	0006164	biological_process	purine nucleotide biosynthetic process
F	0006167	biological_process	AMP biosynthetic process
F	0006189	biological_process	'de novo' IMP biosynthetic process
F	0009152	biological_process	purine ribonucleotide biosynthetic process
F	0016829	molecular_function	lyase activity
F	0044208	biological_process	'de novo' AMP biosynthetic process
F	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
G	0000166	molecular_function	nucleotide binding
G	0003824	molecular_function	catalytic activity
G	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
G	0005829	cellular_component	cytosol
G	0006164	biological_process	purine nucleotide biosynthetic process
G	0006167	biological_process	AMP biosynthetic process
G	0006189	biological_process	'de novo' IMP biosynthetic process
G	0009152	biological_process	purine ribonucleotide biosynthetic process
G	0016829	molecular_function	lyase activity
G	0044208	biological_process	'de novo' AMP biosynthetic process
G	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
H	0000166	molecular_function	nucleotide binding
H	0003824	molecular_function	catalytic activity
H	0004018	molecular_function	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
H	0005829	cellular_component	cytosol
H	0006164	biological_process	purine nucleotide biosynthetic process
H	0006167	biological_process	AMP biosynthetic process
H	0006189	biological_process	'de novo' IMP biosynthetic process
H	0009152	biological_process	purine ribonucleotide biosynthetic process
H	0016829	molecular_function	lyase activity
H	0044208	biological_process	'de novo' AMP biosynthetic process
H	0070626	molecular_function	(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	binding site for residue SSS A 501

Chain	Residue
A	GLU81
A	ALA335
A	ARG338
B	THR158
B	HIS159
D	ARG20
D	TYR21
D	LYS295
D	ASN297
D	MET299
D	ARG303
A	ARG85
A	HIS86
A	ASP87
A	THR111
A	SER112
A	GLN241
A	ARG329
A	SER334

site_id	AC2
Number of Residues	4
Details	binding site for residue CL A 502

Chain	Residue
A	TYR114
A	ARG196
A	LYS199
A	GLY200

site_id	AC3
Number of Residues	5
Details	binding site for residue CL B 501

Chain	Residue
B	THR111
B	TYR114
B	ARG196
B	LYS199
B	GLY200

site_id	AC4
Number of Residues	17
Details	binding site for residue SSS B 502

Chain	Residue
A	THR158
A	HIS159
B	THR111
B	SER112
B	GLN241
B	ARG329
B	LEU331
B	SER334
B	ALA335
B	ARG338
B	HOH612
C	ARG20
C	TYR21
C	LYS295
C	ASN297
C	MET299
C	ARG303

site_id	AC5
Number of Residues	13
Details	binding site for residue FUM B 503

Chain	Residue
B	SER289
B	SER290
B	ALA291
B	MET292
B	LYS295
B	ASN297
C	HIS86
C	THR111
C	SER112
C	GLN241
C	AMZ502
D	THR158
D	HIS159

site_id	AC6
Number of Residues	3
Details	binding site for residue CL C 501

Chain	Residue
C	ARG196
C	LYS199
C	GLY200

site_id	AC7
Number of Residues	19
Details	binding site for residue AMZ C 502

Chain	Residue
B	ARG20
B	TYR21
B	MET299
B	ARG303
B	FUM503
C	ARG85
C	HIS86
C	ASP87
C	SER112
C	GLN241
C	ARG329
C	LEU331
C	SER334
C	ALA335
C	ARG338
C	HOH602
C	HOH605
C	HOH608
D	HIS159

site_id	AC8
Number of Residues	4
Details	binding site for residue CL D 501

Chain	Residue
D	TYR114
D	ARG196
D	LYS199
D	GLY200

site_id	AC9
Number of Residues	20
Details	binding site for residue SSS D 502

Chain	Residue
D	ARG329
D	SER334
D	ALA335
D	ARG338
D	HOH604
A	ARG20
A	TYR21
A	LYS295
A	ASN297
A	MET299
A	ARG303
C	THR158
C	HIS159
D	GLU81
D	ARG85
D	HIS86
D	ASP87
D	THR111
D	SER112
D	GLN241

site_id	AD1
Number of Residues	4
Details	binding site for residue CL E 501

Chain	Residue
E	TYR114
E	ARG196
E	LYS199
E	GLY200

site_id	AD2
Number of Residues	13
Details	binding site for residue FUM E 502

Chain	Residue
E	SER289
E	SER290
E	ALA291
E	MET292
E	LYS295
E	ASN297
G	THR158
G	HIS159
H	HIS86
H	THR111
H	SER112
H	GLN241
H	AMZ503

site_id	AD3
Number of Residues	4
Details	binding site for residue CL F 501

Chain	Residue
F	TYR114
F	ARG196
F	LYS199
F	GLY200

site_id	AD4
Number of Residues	20
Details	binding site for residue SSS F 502

Chain	Residue
E	THR158
E	HIS159
F	GLU81
F	ARG85
F	HIS86
F	ASP87
F	THR111
F	SER112
F	GLN241
F	ARG329
F	SER334
F	ALA335
F	ARG338
F	HOH609
G	ARG20
G	TYR21
G	LYS295
G	ASN297
G	MET299
G	ARG303

site_id	AD5
Number of Residues	5
Details	binding site for residue CL G 501

Chain	Residue
G	THR111
G	TYR114
G	ARG196
G	LYS199
G	GLY200

site_id	AD6
Number of Residues	20
Details	binding site for residue SSS G 502

Chain	Residue
F	ARG20
F	TYR21
F	LYS295
F	ASN297
F	MET299
F	ARG303
G	ARG85
G	HIS86
G	ASP87
G	THR111
G	SER112
G	GLN241
G	ARG329
G	SER334
G	ALA335
G	ARG338
G	HOH604
G	HOH617
H	THR158
H	HIS159

site_id	AD7
Number of Residues	26
Details	binding site for residue SSS H 501

Chain	Residue
E	ARG85
E	HIS86
E	ASP87
E	THR111
E	SER112
E	GLN241
E	ARG329
E	SER334
E	ALA335
E	ARG338
E	HOH601
F	THR158
F	HIS159
H	ARG20
H	TYR21
H	GLY288
H	SER289
H	SER290
H	ALA291
H	MET292
H	LYS295
H	ASN297
H	MET299
H	ARG303
H	HOH630
H	HOH631

site_id	AD8
Number of Residues	4
Details	binding site for residue CL H 502

Chain	Residue
H	TYR114
H	ARG196
H	LYS199
H	GLY200

site_id	AD9
Number of Residues	17
Details	binding site for residue AMZ H 503

Chain	Residue
E	ARG20
E	TYR21
E	MET299
E	ARG303
E	FUM502
G	HIS159
H	ARG85
H	HIS86
H	ASP87
H	SER112
H	GLN241
H	ARG329
H	LEU331
H	SER334
H	ALA335
H	ARG338
H	HOH611

Functional Information from PROSITE/UniProt

site_id	PS00163
Number of Residues	10
Details	FUMARATE_LYASES Fumarate lyases signature. GSsaMpYKrN

Chain	Residue	Details
A	GLY288-ASN297

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)