5ZJW

Crystal Structure of PAK4 in complex with inhibitor CZg353

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue 9EO A 601

Chain	Residue
A	GLY328
A	LEU398
A	GLY401
A	ASP444
A	LEU447
A	ASP458
A	HOH729
A	HOH850
A	GLY330
A	THR332
A	GLY333
A	VAL335
A	ALA348
A	LYS350
A	GLU396
A	PHE397

---

site_id	AC2
Number of Residues	6
Details	binding site for residue EDO A 602

Chain	Residue
A	GLN358
A	LEU362
A	PHE461
A	VAL476
A	GLY477
A	HOH865

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 603

Chain	Residue
A	ASN383
A	ASN530
A	LEU531
A	BCT611
A	HOH845

---

site_id	AC4
Number of Residues	8
Details	binding site for residue EDO A 604

Chain	Residue
A	GLY330
A	SER331
A	ASP440
A	LYS442
A	ASP458
A	PHE461
A	THR478
A	HOH860

---

site_id	AC5
Number of Residues	3
Details	binding site for residue EDO A 605

Chain	Residue
A	HIS301
A	SER429
A	VAL430

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO A 606

Chain	Residue
A	HIS409
A	LEU538
A	VAL541
A	PRO543

---

site_id	AC7
Number of Residues	8
Details	binding site for residue EDO A 607

Chain	Residue
A	PRO484
A	GLU485
A	SER488
A	ARG555
A	PRO557
A	HOH712
A	HOH715
A	HOH824

---

site_id	AC8
Number of Residues	2
Details	binding site for residue EDO A 608

Chain	Residue
A	MET412
A	LYS540

---

site_id	AC9
Number of Residues	3
Details	binding site for residue EDO A 609

Chain	Residue
A	LYS356
A	GLU390
A	HOH758

---

site_id	AD1
Number of Residues	8
Details	binding site for residue TRS A 610

Chain	Residue
A	THR404
A	THR408
A	GLU507
A	GLY511
A	GLU512
A	PRO513
A	PHE516
A	HOH701

---

site_id	AD2
Number of Residues	4
Details	binding site for residue BCT A 611

Chain	Residue
A	LYS345
A	TYR382
A	ASP529
A	EDO603

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	25
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGSTGIVCiAtvrssgklv.........AVKK

Chain	Residue	Details
A	ILE327-LYS351

---

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"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"26607847","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4XBR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XBU","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26607847","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4XBR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XBU","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2005","submissionDatabase":"PDB data bank","title":"Crystal structure of the human p21-activated kinase 4.","authors":["Eswaran J.","Debreczeni J.E.","Bunkoczi G.","Filippakopoulos P.","Das S.","Fedorov O.","Sundstrom M.","Arrowsmith C.","Edwards A.","von Delft F.","Knapp S."]}},{"source":"PubMed","id":"17081983","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---