4GS6

Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004672	molecular_function	protein kinase activity
A	0004709	molecular_function	MAP kinase kinase kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0007165	biological_process	signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 601

Chain	Residue
A	TYR300
A	PRO301
A	HIS495
A	HOH855

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 602

Chain	Residue
A	PRO258
A	TYR488
A	TRP491
A	HOH718
A	HOH852

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 603

Chain	Residue
A	ASP295
A	HOH821

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 604

Chain	Residue
A	SER272
A	ARG274
A	PRO292
A	GLU486
A	HOH797
A	HOH799
A	HOH800

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 605

Chain	Residue
A	ALA194
A	LYS227
A	PRO228
A	HOH722

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 606

Chain	Residue
A	SER276
A	ASP483
A	GLU486
A	HOH701
A	HOH737

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 607

Chain	Residue
A	ARG248
A	TRP267
A	LYS269
A	HOH761
A	HOH762
A	HOH859

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 608

Chain	Residue
A	PRO297
A	LEU298

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 609

Chain	Residue
A	GLY109
A	GLY167
A	GLY168
A	HOH720
A	HOH854
A	HOH855

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 610

Chain	Residue
A	LYS282
A	HIS468
A	PRO480
A	VAL482
A	ASP483

---

site_id	BC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 1FM A 611

Chain	Residue
A	VAL42
A	ARG44
A	GLY45
A	ALA61
A	MET104
A	GLU105
A	TYR106
A	ALA107
A	PRO160
A	ASN161
A	LEU163
A	CYS174
A	ASP175
A	HOH840
A	HOH849

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	22
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGRGAFGVVCkAkwrakd............VAIK

Chain	Residue	Details
A	VAL42-LYS63

---

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

Chain	Residue	Details
A	LEU152-LEU164

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
A	ASP156

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	VAL42

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING:

Chain	Residue	Details
A	LYS63

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by autocatalysis; alternate => ECO:0000269|PubMed:37832545, ECO:0000305|PubMed:10838074

Chain	Residue	Details
A	THR184

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by autocatalysis; alternate => ECO:0000269|PubMed:10838074, ECO:0000269|PubMed:16845370, ECO:0000269|PubMed:19675569, ECO:0000269|PubMed:21512573, ECO:0000269|PubMed:37832545

Chain	Residue	Details
A	THR187

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000269|PubMed:10702308, ECO:0000269|PubMed:10838074

Chain	Residue	Details
A	SER192

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:22406003

Chain	Residue	Details
A	LYS72

---

site_id	SWS_FT_FI8
Number of Residues	3
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000250|UniProtKB:Q62073

Chain	Residue	Details
A	LYS158
A	LYS209

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	SITE: Required for interaction with MAP3K7 => ECO:0000269|PubMed:11323434

Chain	Residue	Details
A	PHE484

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