4NST

Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride

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
B	0006357	biological_process	regulation of transcription by RNA polymerase II
B	0016538	molecular_function	cyclin-dependent protein serine/threonine kinase regulator activity
C	0004672	molecular_function	protein kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
D	0006357	biological_process	regulation of transcription by RNA polymerase II
D	0016538	molecular_function	cyclin-dependent protein serine/threonine kinase regulator activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE ADP A 1101

Chain	Residue
A	ILE733
A	ASP819
A	SER863
A	ASN864
A	ASP877
A	HIS1040
A	GLU1041
A	AF31102
A	MG1103
A	MG1104
A	HOH1202
A	GLU735
A	HOH1206
A	HOH1216
A	HOH1262
A	HOH1263
A	GLY736
A	THR737
A	ALA754
A	LYS756
A	PHE813
A	GLU814
A	MET816

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE AF3 A 1102

Chain	Residue
A	ASP859
A	LYS861
A	ASN864
A	ASP877
A	ADP1101
A	MG1103
A	MG1104
A	HOH1263

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1103

Chain	Residue
A	ASN864
A	ASP877
A	ADP1101
A	AF31102
A	MG1104
A	HOH1263

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 1104

Chain	Residue
A	ASP877
A	ADP1101
A	AF31102
A	MG1103
A	HOH1201

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG A 1105

Chain	Residue
A	HIS999

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1106

Chain	Residue
A	MET821
A	LYS861
A	CYS862
A	SER863
A	TYR901

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 301

Chain	Residue
B	CYS23
B	TYR25
B	TRP26

---

site_id	AC8
Number of Residues	23
Details	BINDING SITE FOR RESIDUE ADP C 1101

Chain	Residue
C	ILE733
C	GLU735
C	GLY736
C	THR737
C	VAL741
C	ALA754
C	LYS756
C	PHE813
C	GLU814
C	MET816
C	ASP819
C	SER863
C	ASN864
C	ASP877
C	HIS1040
C	AF31102
C	MG1103
C	MG1104
C	HOH1203
C	HOH1219
C	HOH1244
C	HOH1254
C	HOH1268

---

site_id	AC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE AF3 C 1102

Chain	Residue
C	ASP859
C	LYS861
C	ASN864
C	ASP877
C	ADP1101
C	MG1103
C	MG1104
C	HOH1258
C	HOH1259
C	HOH1268

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 1103

Chain	Residue
C	ASN864
C	ASP877
C	ADP1101
C	AF31102
C	HOH1268

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C 1104

Chain	Residue
C	ASP877
C	ADP1101
C	AF31102
C	HOH1259

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 1105

Chain	Residue
C	LYS776
C	ARG779
C	GLN780
D	ASP154
D	LEU155
D	GLN156

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG D 301

Chain	Residue
D	GLN37
D	LEU41

---

site_id	BC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG D 302

Chain	Residue
D	GLU204

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 303

Chain	Residue
B	GLU39
B	LYS88
B	GLN89
B	HOH477
D	HIS85
D	PHE90

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE733-LYS756

---

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

Chain	Residue	Details
A	PHE855-LEU867

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
A	ASP859
C	ASP859

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
A	ILE733
A	LYS756
A	GLU814
A	HIS1040
C	ILE733
C	LYS756
C	GLU814
C	HIS1040

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER889
C	SER889

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphothreonine => ECO:0000269|PubMed:24662513, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	TPO893
C	TPO893

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER1053
C	SER1053

---