4Q4C

Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 1,5-(PP)2-IP4 (1,5-IP8)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000829	molecular_function	diphosphoinositol pentakisphosphate kinase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE ADP A 401

Chain	Residue
A	ARG134
A	MET240
A	ASP246
A	PRO265
A	ASP309
A	LEU311
A	CYS320
A	ASP321
A	I8P402
A	MG403
A	MG404
A	PRO149
A	HOH522
A	HOH541
A	HOH548
A	HOH830
A	HOH831
A	VAL185
A	LYS187
A	HIS194
A	LEU211
A	GLU237
A	GLU238
A	PHE239

---

site_id	AC2
Number of Residues	47
Details	BINDING SITE FOR RESIDUE I8P A 402

Chain	Residue
A	LYS53
A	LYS54
A	HIS194
A	ARG213
A	LYS214
A	LYS248
A	ARG262
A	ARG273
A	ARG281
A	ASP309
A	ASP321
A	ASN323
A	SER326
A	LYS329
A	ADP401
A	MG403
A	MG404
A	MG406
A	HOH522
A	HOH551
A	HOH581
A	HOH584
A	HOH651
A	HOH660
A	HOH664
A	HOH674
A	HOH679
A	HOH700
A	HOH710
A	HOH718
A	HOH721
A	HOH722
A	HOH726
A	HOH729
A	HOH738
A	HOH756
A	HOH757
A	HOH763
A	HOH776
A	HOH779
A	HOH781
A	HOH794
A	HOH795
A	HOH805
A	HOH807
A	HOH811
A	HOH832

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 403

Chain	Residue
A	ASP321
A	ASN323
A	ADP401
A	I8P402
A	HOH830

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 404

Chain	Residue
A	ASP309
A	ASP321
A	ADP401
A	I8P402
A	HOH522

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 405

Chain	Residue
A	SER68
A	PHE70
A	ILE73
A	HOH637
A	HOH680
A	HOH770

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 406

Chain	Residue
A	I8P402
A	HOH660
A	HOH674
A	HOH718
A	HOH832

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 407

Chain	Residue
A	HOH612
A	HOH615
A	HOH645
A	HOH651
A	HOH714
A	HOH796

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9F","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T54","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T99","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9F","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T9A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9D","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T54","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9D","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9F","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T54","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T7A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T54","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T99","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9F","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T54","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22119861","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3T9D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3T9E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---