3INN

Crystal structure of pantoate-beta-alanine-ligase in complex with ATP at low occupancy at 2.1 A resolution

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0004592	molecular_function	pantoate-beta-alanine ligase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0009058	biological_process	biosynthetic process
A	0015940	biological_process	pantothenate biosynthetic process
A	0016874	molecular_function	ligase activity
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0004592	molecular_function	pantoate-beta-alanine ligase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0009058	biological_process	biosynthetic process
B	0015940	biological_process	pantothenate biosynthetic process
B	0016874	molecular_function	ligase activity
C	0000166	molecular_function	nucleotide binding
C	0003824	molecular_function	catalytic activity
C	0004592	molecular_function	pantoate-beta-alanine ligase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0009058	biological_process	biosynthetic process
C	0015940	biological_process	pantothenate biosynthetic process
C	0016874	molecular_function	ligase activity
D	0000166	molecular_function	nucleotide binding
D	0003824	molecular_function	catalytic activity
D	0004592	molecular_function	pantoate-beta-alanine ligase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0009058	biological_process	biosynthetic process
D	0015940	biological_process	pantothenate biosynthetic process
D	0016874	molecular_function	ligase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ATP A 300

Chain	Residue
A	PRO28
A	LYS149
A	ASP150
A	GLN153
A	THR175
A	VAL176
A	CYS184
A	HOH439
A	HOH472
A	HOH691
A	MET30
A	HIS34
A	HIS37
A	LEU40
A	GLN61
A	VAL131
A	PHE146
A	GLY147

---

site_id	AC2
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ATP C 300

Chain	Residue
C	PRO28
C	THR29
C	MET30
C	HIS34
C	HIS37
C	LEU40
C	GLN61
C	VAL132
C	PHE146
C	GLY147
C	ASP150
C	GLN153
C	THR175
C	VAL176
C	CYS184
C	HOH317
C	HOH393
C	HOH528
C	HOH732

---

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ATP D 300

Chain	Residue
D	PRO28
D	THR29
D	MET30
D	GLY31
D	HIS34
D	HIS37
D	LEU40
D	GLN61
D	PHE146
D	GLY147
D	ASP150
D	GLN153
D	THR175
D	VAL176
D	CYS184
D	HOH483
D	HOH733

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_00158","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	64
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00158","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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