6C9V

Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004001	molecular_function	adenosine kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005525	molecular_function	GTP binding
A	0005886	cellular_component	plasma membrane
A	0006166	biological_process	purine ribonucleoside salvage
A	0016301	molecular_function	kinase activity
A	0032567	molecular_function	dGTP binding
A	0044209	biological_process	AMP salvage
B	0000287	molecular_function	magnesium ion binding
B	0004001	molecular_function	adenosine kinase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005525	molecular_function	GTP binding
B	0005886	cellular_component	plasma membrane
B	0006166	biological_process	purine ribonucleoside salvage
B	0016301	molecular_function	kinase activity
B	0032567	molecular_function	dGTP binding
B	0044209	biological_process	AMP salvage

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue ERS A 401

Chain	Residue
A	SER8
A	GLN172
A	GLN173
A	ARG176
A	ASP257
A	HOH636
B	SER36
B	HOH583
A	ALA10
A	ASP12
A	GLY47
A	GLY48
A	VAL49
A	ASN52
A	PHE102
A	PHE116

---

site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 402

Chain	Residue
A	ASN195
A	HOH501
A	HOH502
A	HOH524
A	HOH526

---

site_id	AC3
Number of Residues	6
Details	binding site for residue NA A 403

Chain	Residue
A	ASP251
A	THR253
A	VAL287
A	SER290
A	THR291
A	GLY292

---

site_id	AC4
Number of Residues	17
Details	binding site for residue ERS B 401

Chain	Residue
A	SER36
A	HOH602
B	SER8
B	ALA10
B	ASP12
B	GLY47
B	GLY48
B	VAL49
B	ASN52
B	PHE102
B	PHE116
B	ALA146
B	GLN172
B	GLN173
B	ARG176
B	ASP257
B	HOH650

---

site_id	AC5
Number of Residues	4
Details	binding site for residue SO4 B 402

Chain	Residue
B	ASN195
B	HOH504
B	HOH512
B	HOH546

---

site_id	AC6
Number of Residues	6
Details	binding site for residue NA B 403

Chain	Residue
B	ASP251
B	THR253
B	VAL287
B	SER290
B	THR291
B	GLY292

---

site_id	AC7
Number of Residues	8
Details	binding site for residue GOL B 404

Chain	Residue
A	CYS104
A	THR105
A	ILE113
B	CYS104
B	THR105
B	ILE113
B	ALA114
B	SER115

---

Functional Information from PROSITE/UniProt

site_id	PS00583
Number of Residues	25
Details	PFKB_KINASES_1 pfkB family of carbohydrate kinases signature 1. GGvAgNMAfaIgVLGgevalvgaaG

Chain	Residue	Details
A	GLY47-GLY71

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Proton acceptor => ECO:0000305|PubMed:17597075

Chain	Residue	Details
A	ASP257
B	ASP257

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING: in other chain => ECO:0000305|PubMed:17597075, ECO:0007744|PDB:2PKM

Chain	Residue	Details
A	GLY48
A	ASN52
A	PHE102
A	PHE116
A	GLN172
A	ASP257
B	SER8
B	ASP12
B	GLY48
B	ASN52
B	PHE102
B	PHE116
B	GLN172
B	ASP257
A	SER8
A	ASP12

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000305|PubMed:17597075, ECO:0007744|PDB:2PKM

Chain	Residue	Details
A	SER36
B	SER36

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000305|PubMed:17597075, ECO:0000305|PubMed:25259627, ECO:0007744|PDB:4O1G

Chain	Residue	Details
A	ASN195
B	ASN195

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	BINDING: BINDING => ECO:0000305|PubMed:17597075, ECO:0000305|PubMed:25259627, ECO:0007744|PDB:2PKN, ECO:0007744|PDB:4O1G

Chain	Residue	Details
A	THR223
B	THR223

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	BINDING: BINDING => ECO:0000305|PubMed:25259627, ECO:0007744|PDB:4O1G

Chain	Residue	Details
B	GLY256
A	GLY256

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: N-acetylthreonine => ECO:0007744|PubMed:21969609

Chain	Residue	Details
A	THR2
B	THR2

---