7ALE

Crystal structure of human PAICS in complex with inhibitor 69

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0004638	molecular_function	phosphoribosylaminoimidazole carboxylase activity
A	0004639	molecular_function	phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006164	biological_process	purine nucleotide biosynthetic process
A	0006177	biological_process	GMP biosynthetic process
A	0006189	biological_process	'de novo' IMP biosynthetic process
A	0009113	biological_process	purine nucleobase biosynthetic process
A	0016020	cellular_component	membrane
A	0016829	molecular_function	lyase activity
A	0016831	molecular_function	carboxy-lyase activity
A	0016874	molecular_function	ligase activity
A	0042802	molecular_function	identical protein binding
A	0044208	biological_process	'de novo' AMP biosynthetic process
A	0045296	molecular_function	cadherin binding
A	0070062	cellular_component	extracellular exosome
A	0097294	biological_process	'de novo' XMP biosynthetic process
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0004638	molecular_function	phosphoribosylaminoimidazole carboxylase activity
B	0004639	molecular_function	phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006164	biological_process	purine nucleotide biosynthetic process
B	0006177	biological_process	GMP biosynthetic process
B	0006189	biological_process	'de novo' IMP biosynthetic process
B	0009113	biological_process	purine nucleobase biosynthetic process
B	0016020	cellular_component	membrane
B	0016829	molecular_function	lyase activity
B	0016831	molecular_function	carboxy-lyase activity
B	0016874	molecular_function	ligase activity
B	0042802	molecular_function	identical protein binding
B	0044208	biological_process	'de novo' AMP biosynthetic process
B	0045296	molecular_function	cadherin binding
B	0070062	cellular_component	extracellular exosome
B	0097294	biological_process	'de novo' XMP biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue RLK A 501

Chain	Residue
A	LEU13
A	MET93
A	ASP207
A	TYR14
A	LEU33
A	ALA76
A	PHE86
A	ALA88
A	PRO89
A	GLN90
A	CYS91

---

site_id	AC2
Number of Residues	12
Details	binding site for residue OK8 A 502

Chain	Residue
A	THR40
A	GLY42
A	GLU97
A	ARG101
A	SER107
A	ASP189
A	ASP212
A	SER213
A	TRP214
A	ARG215
A	LYS228
A	ARG232

---

site_id	AC3
Number of Residues	12
Details	binding site for residue RLK B 501

Chain	Residue
B	LEU13
B	TYR14
B	PHE65
B	ALA76
B	ALA88
B	PRO89
B	GLN90
B	CYS91
B	GLU92
B	MET93
B	ALA206
B	ASP207

---

site_id	AC4
Number of Residues	15
Details	binding site for residue OK8 B 502

Chain	Residue
B	LYS17
B	THR40
B	ALA41
B	GLY42
B	GLU97
B	ARG101
B	SER107
B	ASP189
B	LYS191
B	ASP212
B	SER213
B	TRP214
B	ARG215
B	LYS228
B	ARG232

---

Functional Information from PROSITE/UniProt

site_id	PS01057
Number of Residues	15
Details	SAICAR_SYNTHETASE_1 SAICAR synthetase signature 1. MIPIEwVCRriaTGS

Chain	Residue	Details
A	MET93-SER107

---

site_id	PS01058
Number of Residues	9
Details	SAICAR_SYNTHETASE_2 SAICAR synthetase signature 2. LVDmKIEFG

Chain	Residue	Details
A	LEU187-GLY195

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	10
Details	Region: {"description":"Linker","evidences":[{"source":"PubMed","id":"17224163","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"2H31","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	316
Details	Region: {"description":"AIR carboxylase domain","evidences":[{"source":"PubMed","id":"17224163","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2H31","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17224163","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2H31","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"Q9DCL9","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"16964243","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"17924679","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q9DCL9","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---