1RJN

The Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis in Complex with the CoA Portion of Naphthoyl CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005886	cellular_component	plasma membrane
A	0008935	molecular_function	1,4-dihydroxy-2-naphthoyl-CoA synthase activity
A	0009234	biological_process	menaquinone biosynthetic process
A	0016829	molecular_function	lyase activity
A	0034214	biological_process	protein hexamerization
B	0005886	cellular_component	plasma membrane
B	0008935	molecular_function	1,4-dihydroxy-2-naphthoyl-CoA synthase activity
B	0009234	biological_process	menaquinone biosynthetic process
B	0016829	molecular_function	lyase activity
B	0034214	biological_process	protein hexamerization
C	0005886	cellular_component	plasma membrane
C	0008935	molecular_function	1,4-dihydroxy-2-naphthoyl-CoA synthase activity
C	0009234	biological_process	menaquinone biosynthetic process
C	0016829	molecular_function	lyase activity
C	0034214	biological_process	protein hexamerization

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE COA B 1210

Chain	Residue
B	VAL57
B	ARG58
B	LYS95
B	SER103
B	GLY105
B	ASP106
B	GLN107
B	TRP157

---

site_id	AC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE EP1 B 1211

Chain	Residue
A	ARG202
A	GLN203
A	VAL204
A	GLY205
A	PHE208
A	MET227
A	GLY228
B	ALA201
B	ARG202
B	GLN203
B	VAL204
B	GLY205
B	GLN226
B	MET227
B	HOH1219
B	HOH1229
B	HOH1238
C	ALA201
C	ARG202
C	GLN203
C	VAL204
C	GLY205
C	PHE208
C	GLN226
C	MET227
C	HOH321
A	ALA201

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_01934","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12909628","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21830810","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"12909628","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21830810","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_01934","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12909628","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16131752","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21830810","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	15
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_01934","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12909628","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_01934","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21830810","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P0ABU0","evidenceCode":"ECO:0000250"},{"source":"HAMAP-Rule","id":"MF_01934","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	3
Details	Site: {"description":"Important for catalysis","evidences":[{"source":"HAMAP-Rule","id":"MF_01934","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"20643650","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21830810","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Site: {"description":"Important for catalysis","evidences":[{"source":"UniProtKB","id":"P0ABU0","evidenceCode":"ECO:0000250"},{"source":"HAMAP-Rule","id":"MF_01934","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12909628","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1dci

Chain	Residue	Details
A	ASP192
A	ASP185

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1dci

Chain	Residue	Details
B	ASP192
B	ASP185

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1dci

Chain	Residue	Details
C	ASP192
C	ASP185

---

site_id	MCSA1
Number of Residues	5
Details	M-CSA 346

Chain	Residue	Details
A	GLY105	electrostatic stabiliser, hydrogen bond donor
A	GLY161	electrostatic stabiliser, hydrogen bond donor
A	ASP185	activator
A	SER190	activator
A	TYR287	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, polar interaction, proton acceptor, proton donor, steric role

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 346

Chain	Residue	Details
B	GLY105	electrostatic stabiliser, hydrogen bond donor
B	GLY161	electrostatic stabiliser, hydrogen bond donor
B	ASP185	activator
B	SER190	activator
B	TYR287	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, polar interaction, proton acceptor, proton donor, steric role

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 346

Chain	Residue	Details
C	GLY105	electrostatic stabiliser, hydrogen bond donor
C	GLY161	electrostatic stabiliser, hydrogen bond donor
C	ASP185	activator
C	SER190	activator

---