5LI9

Structure of a nucleotide-bound form of PKCiota core kinase domain

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	0007163	biological_process	establishment or maintenance of cell polarity

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue ACP A 601

Chain	Residue
A	ILE260
A	LYS283
A	ILE332
A	GLU333
A	VAL335
A	ASP396
A	PHE552
A	HOH718
A	HOH724
A	HOH729
A	HOH739
A	GLY261
A	HOH795
A	HOH816
A	ARG262
A	GLY263
A	SER264
A	TYR265
A	ALA266
A	VAL268
A	ALA281

---

site_id	AC2
Number of Residues	5
Details	binding site for residue FMT A 602

Chain	Residue
A	ASN291
A	SER486
A	VAL487
A	LYS488
A	HOH722

---

site_id	AC3
Number of Residues	6
Details	binding site for residue FMT A 603

Chain	Residue
A	ARG377
A	ASP378
A	LEU379
A	GLY415
A	THR416
A	TYR419

---

site_id	AC4
Number of Residues	5
Details	binding site for residue FMT A 604

Chain	Residue
A	GLU325
A	VAL571
A	ARG572
A	ILE574
A	GLN576

---

site_id	AC5
Number of Residues	5
Details	binding site for residue FMT A 605

Chain	Residue
A	ARG426
A	ARG483
A	SER484
A	LEU485
A	LYS573

---

site_id	AC6
Number of Residues	5
Details	binding site for residue FMT A 606

Chain	Residue
A	LYS303
A	HIS304
A	VAL536
A	HOH744
A	HOH909

---

site_id	AC7
Number of Residues	4
Details	binding site for residue FMT A 607

Chain	Residue
A	SER495
A	ASN498
A	GLU503
A	LEU505

---

site_id	AC8
Number of Residues	3
Details	binding site for residue IMD A 609

Chain	Residue
A	TPO412
A	HOH710
A	HOH923

---

site_id	AC9
Number of Residues	3
Details	binding site for residue MRD A 610

Chain	Residue
A	LEU381
A	GLU445
A	GLY449

---

site_id	AD1
Number of Residues	8
Details	binding site for residue PEG A 611

Chain	Residue
A	MET341
A	LYS380
A	LEU381
A	ASP382
A	ASN418
A	TYR419
A	GLU445
A	SER451

---

site_id	AD2
Number of Residues	6
Details	binding site for residue PEG A 612

Chain	Residue
A	ARG272
A	ASP277
A	ILE279
A	PRO406
A	GLN510
A	PHE547

---

site_id	AD3
Number of Residues	10
Details	binding site for residue PEG A 613

Chain	Residue
A	SER264
A	GLU288
A	LEU289
A	SER491
A	GLY518
A	HIS519
A	PRO520
A	HOH707
A	HOH725
A	HOH827

---

site_id	AD4
Number of Residues	6
Details	binding site for residue ACT A 614

Chain	Residue
A	TYR280
A	GLY317
A	LEU318
A	ASN586
A	HOH713
A	HOH799

---

site_id	AD5
Number of Residues	4
Details	binding site for residue ACT A 615

Chain	Residue
A	VAL299
A	GLN300
A	GLU578
A	PHE582

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	28
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGSYAKVLlVrlkktdriyamk......VVKK

Chain	Residue	Details
A	ILE260-LYS287

---

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

Chain	Residue	Details
A	ILE374-LEU386

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
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_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine; by SRC","evidences":[{"source":"PubMed","id":"11713277","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11891849","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphotyrosine; by SRC","evidences":[{"source":"PubMed","id":"11713277","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by PDPK1","evidences":[{"source":"PubMed","id":"16125198","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"16125198","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 756

Chain	Residue	Details
A	ASP378	proton shuttle (general acid/base)
A	LYS380	electrostatic stabiliser
A	ASN383	electrostatic stabiliser

---