5KGG

Crystal structure of PIM1 with inhibitor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine

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	4
Details	binding site for residue CL A 401

Chain	Residue
A	LYS67
A	ASP186
A	6SO423
A	HOH525

---

site_id	AC2
Number of Residues	5
Details	binding site for residue EDO A 402

Chain	Residue
A	ILE133
A	ASP170
A	ASP234
A	GLY238
A	EDO409

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 403

Chain	Residue
A	ASP128
A	LEU174
A	6SO423
A	HOH540
A	HOH545

---

site_id	AC4
Number of Residues	6
Details	binding site for residue EDO A 404

Chain	Residue
A	ARG136
A	ALA138
A	LEU139
A	GLN140
A	LEU143
A	HOH563

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 405

Chain	Residue
A	ARG221
A	THR280
A	PHE281
A	EDO415
A	HOH503

---

site_id	AC6
Number of Residues	6
Details	binding site for residue EDO A 406

Chain	Residue
A	GLU153
A	HIS157
A	ASN160
A	GLN264
A	HOH509
A	HOH529

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 407

Chain	Residue
A	GLU35
A	VAL40
A	HOH510
A	HOH528

---

site_id	AC8
Number of Residues	4
Details	binding site for residue EDO A 408

Chain	Residue
A	ASP114
A	LEU193
A	HOH580
A	HOH593

---

site_id	AC9
Number of Residues	3
Details	binding site for residue EDO A 409

Chain	Residue
A	ASP170
A	TYR207
A	EDO402

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO A 410

Chain	Residue
A	ARG274
A	PRO275
A	SER276
A	HOH519

---

site_id	AD2
Number of Residues	3
Details	binding site for residue EDO A 411

Chain	Residue
A	THR204
A	ARG205
A	HOH664

---

site_id	AD3
Number of Residues	3
Details	binding site for residue EDO A 412

Chain	Residue
A	ARG179
A	ARG250
A	HOH586

---

site_id	AD4
Number of Residues	5
Details	binding site for residue EDO A 413

Chain	Residue
A	GLU262
A	HIS265
A	HIS287
A	PRO288
A	EDO417

---

site_id	AD5
Number of Residues	9
Details	binding site for residue EDO A 414

Chain	Residue
A	TRP149
A	ARG256
A	GLN257
A	MET290
A	GLN291
A	ASP292
A	VAL293
A	HOH522
A	HOH585

---

site_id	AD6
Number of Residues	7
Details	binding site for residue EDO A 415

Chain	Residue
A	LEU43
A	HIS219
A	ARG221
A	SER222
A	EDO405
A	EDO420
A	HOH504

---

site_id	AD7
Number of Residues	1
Details	binding site for residue EDO A 416

Chain	Residue
A	LEU177

---

site_id	AD8
Number of Residues	8
Details	binding site for residue EDO A 417

Chain	Residue
A	TRP269
A	GLU283
A	ASN286
A	HIS287
A	PRO288
A	EDO413
A	EDO418
A	HOH514

---

site_id	AD9
Number of Residues	5
Details	binding site for residue EDO A 418

Chain	Residue
A	HIS265
A	TRP269
A	EDO417
A	HOH559
A	HOH576

---

site_id	AE1
Number of Residues	6
Details	binding site for residue EDO A 419

Chain	Residue
A	GLU141
A	ARG258
A	VAL259
A	SER260
A	GLU282
A	HOH635

---

site_id	AE2
Number of Residues	7
Details	binding site for residue EDO A 420

Chain	Residue
A	HOH581
A	TYR53
A	LEU193
A	LYS194
A	GLY220
A	ARG221
A	EDO415

---

site_id	AE3
Number of Residues	3
Details	binding site for residue EDO A 421

Chain	Residue
A	GLU141
A	GLU142
A	ARG145

---

site_id	AE4
Number of Residues	6
Details	binding site for residue EDO A 422

Chain	Residue
A	ASN160
A	CYS161
A	HIS265
A	HOH524
A	HOH529
A	HOH541

---

site_id	AE5
Number of Residues	10
Details	binding site for residue 6SO A 423

Chain	Residue
A	VAL52
A	ALA65
A	ARG122
A	ASP128
A	LEU174
A	ILE185
A	ASP186
A	CL401
A	EDO403
A	HOH540

---

site_id	AE6
Number of Residues	8
Details	binding site for residue SO4 A 424

Chain	Residue
A	ARG156
A	ARG258
A	SER261
A	PHE281
A	HOH501
A	HOH530
A	HOH574
A	HOH640

---

site_id	AE7
Number of Residues	3
Details	binding site for residue SO4 A 425

Chain	Residue
A	ASP108
A	TRP109
A	HOH549

---

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

---