3T9E

Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP, 5-(PP)-IP5 (5-IP7) and MgF3 (transition state mimic)

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	HOH18
A	GLU238
A	PHE239
A	MET240
A	ASP246
A	PRO265
A	ASP309
A	LEU311
A	CYS320
A	ASP321
A	HOH534
A	HOH27
A	HOH562
A	MG601
A	MG602
A	MGF701
A	HOH764
A	ARG134
A	PRO149
A	VAL185
A	LYS187
A	HIS194
A	LEU211
A	GLU237

---

site_id	AC2
Number of Residues	42
Details	BINDING SITE FOR RESIDUE I7P A 501

Chain	Residue
A	LYS53
A	LYS54
A	ARG213
A	LYS214
A	LYS248
A	ARG262
A	ARG273
A	ARG281
A	ASN323
A	SER326
A	PHE327
A	LYS329
A	HOH426
A	HOH460
A	HOH468
A	HOH515
A	HOH532
A	HOH545
A	HOH548
A	HOH559
A	HOH565
A	HOH566
A	HOH595
A	HOH597
A	MG604
A	HOH610
A	HOH646
A	HOH648
A	HOH657
A	HOH659
A	HOH671
A	HOH676
A	HOH680
A	HOH699
A	MGF701
A	HOH712
A	HOH713
A	HOH714
A	HOH730
A	HOH741
A	HOH748
A	HOH796

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 601

Chain	Residue
A	ASP321
A	ASN323
A	ADP401
A	MGF701
A	HOH764

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 602

Chain	Residue
A	HOH18
A	ASP309
A	ASP321
A	ADP401
A	MGF701

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 603

Chain	Residue
A	SER68
A	PHE70
A	ILE73
A	HOH419
A	HOH430
A	HOH645

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 604

Chain	Residue
A	I7P501
A	HOH545
A	HOH646
A	HOH648
A	HOH699

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 605

Chain	Residue
A	HOH26
A	HOH518
A	HOH595
A	HOH638
A	HOH675
A	HOH680

---

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE MGF A 701

Chain	Residue
A	ASN323
A	ADP401
A	I7P501
A	MG601
A	MG602
A	HOH610
A	HOH764
A	HOH18
A	HIS194
A	ARG213
A	LYS248
A	ASP309
A	ASP321

---

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

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