3ORI

Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 1)

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	0004672	molecular_function	protein kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
C	0004672	molecular_function	protein kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
D	0004672	molecular_function	protein kinase activity
D	0005524	molecular_function	ATP binding
D	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE AGS A 340

Chain	Residue
A	GLY18
A	GLU93
A	VAL95
A	LYS140
A	ASN143
A	MET145
A	ASP156
A	MN341
A	MN342
A	HOH505
A	HOH551
A	GLY20
A	HOH592
A	HOH818
A	HOH897
A	GLY21
A	MET22
A	SER23
A	VAL25
A	ALA38
A	LYS40
A	MET92

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN A 341

Chain	Residue
A	ASP156
A	AGS340
A	HOH897
A	HOH898

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MN A 342

Chain	Residue
A	ASN143
A	ASP156
A	AGS340

---

site_id	AC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE AGS B 440

Chain	Residue
B	GLY18
B	GLY20
B	GLY21
B	MET22
B	SER23
B	VAL25
B	ALA38
B	LYS40
B	MET92
B	GLU93
B	VAL95
B	LYS140
B	ASN143
B	MET145
B	MET155
B	ASP156
B	MN441
B	MN442
B	HOH550
B	HOH608
B	HOH666
B	HOH842

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN B 441

Chain	Residue
B	ASP156
B	AGS440
B	HOH842
B	HOH843

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MN B 442

Chain	Residue
B	ASN143
B	ASP156
B	AGS440

---

site_id	AC7
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AGS C 540

Chain	Residue
C	GLY18
C	GLY20
C	GLY21
C	MET22
C	SER23
C	VAL25
C	ALA38
C	LYS40
C	MET92
C	GLU93
C	VAL95
C	THR99
C	LYS140
C	ALA142
C	ASN143
C	MET145
C	MET155
C	ASP156
C	GLY178
C	HOH392
C	HOH393
C	HOH458
C	MN541
C	MN542
C	HOH547
C	HOH624
C	HOH748

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN C 541

Chain	Residue
C	GLU59
C	ASP156
C	HOH356
C	AGS540

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN C 542

Chain	Residue
C	ASN143
C	ASP156
C	AGS540
C	HOH624

---

site_id	BC1
Number of Residues	28
Details	BINDING SITE FOR RESIDUE AGS D 640

Chain	Residue
D	ALA38
D	LYS40
D	VAL72
D	MET92
D	GLU93
D	VAL95
D	THR99
D	LYS140
D	ALA142
D	ASN143
D	MET145
D	MET155
D	ASP156
D	HOH349
D	HOH378
D	HOH380
D	HOH451
D	HOH471
D	HOH630
D	MN641
D	MN642
D	HOH668
D	GLY18
D	GLY20
D	GLY21
D	MET22
D	SER23
D	VAL25

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN D 641

Chain	Residue
D	GLU59
D	ASP156
D	HOH321
D	AGS640

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN D 642

Chain	Residue
D	ASN143
D	ASP156
D	HOH349
D	AGS640

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU17-LYS40

---

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

Chain	Residue	Details
A	ILE134-ILE146

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	56
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12548283","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12551895","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {}

Chain

Residue

Details

---