6ZJE

Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Ap5A

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004017	molecular_function	adenylate kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005525	molecular_function	GTP binding
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0006139	biological_process	nucleobase-containing compound metabolic process
A	0006172	biological_process	ADP biosynthetic process
A	0007596	biological_process	blood coagulation
A	0009117	biological_process	nucleotide metabolic process
A	0009123	biological_process	nucleoside monophosphate metabolic process
A	0009142	biological_process	nucleoside triphosphate biosynthetic process
A	0016301	molecular_function	kinase activity
A	0016310	biological_process	phosphorylation
A	0016776	molecular_function	phosphotransferase activity, phosphate group as acceptor
A	0016874	molecular_function	ligase activity
A	0019205	molecular_function	nucleobase-containing compound kinase activity
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0046033	biological_process	AMP metabolic process
A	0046039	biological_process	GTP metabolic process
A	0046041	biological_process	ITP metabolic process
A	0046051	biological_process	UTP metabolic process
A	0046899	molecular_function	nucleoside triphosphate adenylate kinase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	40
Details	binding site for residue AP5 A 401

Chain	Residue
A	PRO16
A	LEU65
A	ILE66
A	MET71
A	GLY91
A	ARG94
A	GLN98
A	ARG124
A	LEU125
A	ARG172
A	THR201
A	GLY17
A	CL402
A	MG405
A	HOH501
A	HOH503
A	HOH504
A	HOH511
A	HOH512
A	HOH541
A	HOH545
A	HOH553
A	GLY21
A	HOH575
A	HOH613
A	HOH663
A	HOH665
A	HOH692
A	HOH694
A	HOH717
A	HOH725
A	HOH733
A	HOH748
A	SER38
A	HOH766
A	GLY39
A	LEU42
A	ARG43
A	ILE60
A	LYS64

---

site_id	AC2
Number of Residues	6
Details	binding site for residue CL A 402

Chain	Residue
A	GLY17
A	SER18
A	GLY19
A	LYS20
A	GLY21
A	AP5401

---

site_id	AC3
Number of Residues	2
Details	binding site for residue CL A 403

Chain	Residue
A	ARG128
A	ASN139

---

site_id	AC4
Number of Residues	4
Details	binding site for residue NA A 404

Chain	Residue
A	ASN143
A	HOH547
A	HOH552
A	HOH643

---

site_id	AC5
Number of Residues	7
Details	binding site for residue MG A 405

Chain	Residue
A	AP5401
A	HOH541
A	HOH545
A	HOH607
A	HOH631
A	HOH665
A	HOH731

---

Functional Information from PROSITE/UniProt

site_id	PS00113
Number of Residues	12
Details	ADENYLATE_KINASE Adenylate kinase signature. WLLDGFPRtlpQ

Chain	Residue	Details
A	TRP87-GLN98

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	11
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03169

Chain	Residue	Details
A	GLY17
A	ARG172
A	THR201
A	SER38
A	ARG43
A	LYS64
A	GLY91
A	GLN98
A	ARG128
A	VAL137
A	ARG161

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q9WTP7

Chain	Residue	Details
A	LYS20
A	LYS57

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q9WTP7

Chain	Residue	Details
A	LYS34
A	LYS203

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q9WTP7

Chain	Residue	Details
A	SER37

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q9WTP7

Chain	Residue	Details
A	LYS64
A	LYS80
A	LYS174
A	LYS189

---