1KA1

The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000103	biological_process	sulfate assimilation
A	0005575	cellular_component	cellular_component
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0006790	biological_process	sulfur compound metabolic process
A	0008441	molecular_function	3'(2'),5'-bisphosphate nucleotidase activity
A	0009086	biological_process	methionine biosynthetic process
A	0016078	biological_process	tRNA decay
A	0016787	molecular_function	hydrolase activity
A	0042538	biological_process	hyperosmotic salinity response
A	0046854	biological_process	phosphatidylinositol phosphate biosynthetic process
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 401

Chain	Residue
A	GLU72
A	ASP142
A	ILE144
A	A3P601
A	HOH603
A	HOH613

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 501

Chain	Residue
A	A3P601
A	HOH639
A	ASP142
A	ASP145
A	ASP294

---

site_id	AC3
Number of Residues	27
Details	BINDING SITE FOR RESIDUE A3P A 601

Chain	Residue
A	GLU72
A	ASP142
A	ILE144
A	ASP145
A	GLY146
A	THR147
A	GLY240
A	HIS241
A	ASP263
A	SER264
A	LYS267
A	ARG281
A	TYR288
A	ASP294
A	CA401
A	MG501
A	HOH606
A	HOH613
A	HOH627
A	HOH632
A	HOH639
A	HOH640
A	HOH675
A	HOH797
A	HOH815
A	HOH998
A	HOH1027

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BME A 602

Chain	Residue
A	MET313
A	GLU314
A	CYS349
A	GLN353
A	HOH807
A	HOH1005

---

Functional Information from PROSITE/UniProt

site_id	PS00629
Number of Residues	14
Details	IMP_1 Inositol monophosphatase family signature 1. WcLDPIDGTkgFlR

Chain	Residue	Details
A	TRP139-ARG152

---

site_id	PS00630
Number of Residues	15
Details	IMP_2 Inositol monophosphatase family signature 2. WDhAAGnVIVheaGG

Chain	Residue	Details
A	TRP293-GLY307

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"12126627","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10656801","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12126627","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1K9Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QGX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12126627","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1K9Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KA1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12126627","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KA1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10656801","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12126627","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"OCT-2001","submissionDatabase":"PDB data bank","title":"Hal2p: Ion selectivity and implications on inhibition mechanism.","authors":["Patel S.","Albert A.","Blundell T.L."]}},{"source":"PDB","id":"1K9Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KA0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QGX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1ima

Chain	Residue	Details
A	THR147
A	GLU72

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1ima

Chain	Residue	Details
A	LYS32
A	THR147

---

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1ima

Chain	Residue	Details
A	ASP294
A	ASP49
A	THR147

---

site_id	MCSA1
Number of Residues	7
Details	M-CSA 904

Chain	Residue	Details
A	ASP49	proton acceptor, proton donor
A	GLU72	metal ligand
A	ASP142	metal ligand
A	ILE144	metal ligand
A	ASP145	metal ligand
A	THR147	proton acceptor, proton donor, proton relay
A	ASP294	metal ligand

---