4DTK

Novel and selective pan-PIM kinase inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0043066	biological_process	negative regulation of apoptotic process

Functional Information from PDB Data

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

Chain	Residue
A	ARG136
A	ALA138
A	LEU139
A	GLN140
A	LEU143
A	HOH528

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 402

Chain	Residue
A	ASP108
A	TRP109

---

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

Chain	Residue
A	ARG258
A	SER260
A	GLU282
A	HOH593
A	GLU141

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 404

Chain	Residue
A	PHE100
A	GLU153
A	ARG156
A	ASN160
A	SER261
A	GLN264

---

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

Chain	Residue
A	PHE130
A	ILE133
A	ASP170
A	ASP234
A	GLY238
A	ASP239

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 406

Chain	Residue
A	GLU141
A	GLU142
A	ARG145
A	HOH698

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 407

Chain	Residue
A	TRP269
A	ASP277
A	HOH584

---

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 7LI A 408

Chain	Residue
A	VAL52
A	ALA65
A	LYS67
A	ILE104
A	VAL126
A	ASP128
A	GLU171
A	LEU174
A	ASP186
A	HOH510
A	HOH679
A	HOH680
A	HOH682

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 409

Chain	Residue
A	ARG156
A	ARG258
A	SER261
A	PHE281
A	HOH513
A	HOH599

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 410

Chain	Residue
A	ARG179
A	HOH613
A	HOH701

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGSGGFGSVYsGirvsdnlp..........VAIK

Chain	Residue	Details
A	LEU44-LYS67

---

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VlHrDIKdeNILI

Chain	Residue	Details
A	VAL163-ILE175

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	252
Details	Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15525646","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"15657054","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"15808862","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"15657054","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---