3SPT

Crystal structure of GlmU from Mycobacterium tuberculosis in complex with ACETYL COENZYME A and URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0000902	biological_process	cell morphogenesis
A	0003824	molecular_function	catalytic activity
A	0003977	molecular_function	UDP-N-acetylglucosamine diphosphorylase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006048	biological_process	UDP-N-acetylglucosamine biosynthetic process
A	0008360	biological_process	regulation of cell shape
A	0009245	biological_process	lipid A biosynthetic process
A	0009252	biological_process	peptidoglycan biosynthetic process
A	0016020	cellular_component	membrane
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
A	0016779	molecular_function	nucleotidyltransferase activity
A	0019134	molecular_function	glucosamine-1-phosphate N-acetyltransferase activity
A	0035635	biological_process	entry of bacterium into host cell
A	0044650	biological_process	adhesion of symbiont to host cell
A	0046872	molecular_function	metal ion binding
A	0070569	molecular_function	uridylyltransferase activity
A	0071555	biological_process	cell wall organization

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 497

Chain	Residue
A	ASP114
A	ASN239
A	UD1498
A	HOH711
A	HOH712

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 499

Chain	Residue
A	HOH501
A	HOH501
A	HOH501
A	SER392
A	ASP417
A	ASP417
A	ASP417

---

site_id	AC3
Number of Residues	24
Details	BINDING SITE FOR RESIDUE ACO A 496

Chain	Residue
A	GLY390
A	ALA391
A	VAL394
A	VAL396
A	ASN397
A	TYR398
A	THR414
A	GLY415
A	SER416
A	GLY433
A	ALA434
A	ARG439
A	VAL449
A	ALA451
A	ARG455
A	ILE457
A	TRP460
A	LYS464
A	ARG465
A	HOH516
A	HOH592
A	HOH632
A	HOH652
A	HOH694

---

site_id	AC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE UD1 A 498

Chain	Residue
A	LEU12
A	ALA13
A	ALA14
A	GLY15
A	ARG19
A	GLN83
A	PRO86
A	LEU87
A	GLY88
A	THR89
A	ALA92
A	ASP114
A	TYR150
A	GLY151
A	GLU166
A	ASN181
A	TYR209
A	THR211
A	ASN239
A	MG497
A	HOH527
A	HOH596
A	HOH704
A	HOH711
A	HOH712

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	Region: {"description":"Linker","evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"JUL-2011","submissionDatabase":"PDB data bank","title":"Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA.","authors":["Jagtap P.A.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19237750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23485416","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2011","submissionDatabase":"PDB data bank","title":"Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA.","authors":["Jagtap P.A.","Prakash B."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2012","submissionDatabase":"PDB data bank","title":"Structural snapshots of Glmu from Mycobacterium tuberculosis.","authors":["Jagtap P.A.","Verma S.K.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2012","submissionDatabase":"PDB data bank","title":"Structural snapshots of Glmu from Mycobacterium tuberculosis.","authors":["Jagtap P.A.","Verma S.K.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19237750","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2011","submissionDatabase":"PDB data bank","title":"Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA.","authors":["Jagtap P.A.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19237750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23485416","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2012","submissionDatabase":"PDB data bank","title":"Structural snapshots of Glmu from Mycobacterium tuberculosis.","authors":["Jagtap P.A.","Verma S.K.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19121323","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23485416","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2011","submissionDatabase":"PDB data bank","title":"Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA.","authors":["Jagtap P.A.","Prakash B."]}},{"source":"PDB","id":"3SPT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HCQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"23485416","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2012","submissionDatabase":"PDB data bank","title":"Structural snapshots of Glmu from Mycobacterium tuberculosis.","authors":["Jagtap P.A.","Verma S.K.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2011","submissionDatabase":"PDB data bank","title":"Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA.","authors":["Jagtap P.A.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01631","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2011","submissionDatabase":"PDB data bank","title":"Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA.","authors":["Jagtap P.A.","Prakash B."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	2
Details	Cross-link: {"description":"Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)","evidences":[{"source":"PubMed","id":"20066036","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---