Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1YBG

MurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005737	cellular_component	cytoplasm
A	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
A	0009252	biological_process	peptidoglycan biosynthetic process
A	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
A	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
B	0003824	molecular_function	catalytic activity
B	0005737	cellular_component	cytoplasm
B	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
B	0009252	biological_process	peptidoglycan biosynthetic process
B	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
B	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
C	0003824	molecular_function	catalytic activity
C	0005737	cellular_component	cytoplasm
C	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
C	0009252	biological_process	peptidoglycan biosynthetic process
C	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
C	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process
D	0003824	molecular_function	catalytic activity
D	0005737	cellular_component	cytoplasm
D	0008760	molecular_function	UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
D	0009252	biological_process	peptidoglycan biosynthetic process
D	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
D	0019277	biological_process	UDP-N-acetylgalactosamine biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE TAV A 550

Chain	Residue
A	LYS22
A	GLY164
A	PHE328
A	HOH514
A	HOH533
A	ASN23
A	LEU26
A	ARG91
A	ILE94
A	TRP95
A	PRO121
A	HIS125
A	VAL163

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE TAV B 650

Chain	Residue
B	LYS22
B	ASN23
B	LEU26
B	ARG91
B	ALA92
B	ILE94
B	TRP95
B	PRO121
B	HIS125
B	VAL163
B	GLY164
B	GLU190
B	PHE328
B	HOH499

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TAV C 750

Chain	Residue
C	LYS22
C	ASN23
C	LEU26
C	ARG91
C	ALA92
C	ILE94
C	TRP95
C	PRO121
C	HIS125
C	GLY164
C	PHE328
C	HOH452

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE TAV D 850

Chain	Residue
D	LYS22
D	ASN23
D	LEU26
D	ARG91
D	ALA92
D	ILE94
D	PRO121
D	HIS125
D	VAL163
D	GLY164
D	GLU190
D	PHE328
D	ARG397
D	HOH480
D	HOH495

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"20392080","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3LTH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"3SWQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00111","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20392080","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3LTH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SWQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3SWQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"2-(S-cysteinyl)pyruvic acid O-phosphothioketal","evidences":[{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1uae

Chain	Residue	Details
A	ASP305
A	ARG397
A	CYS115
A	ASN23

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1uae

Chain	Residue	Details
B	ASP305
B	ARG397
B	CYS115
B	ASN23

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1uae

Chain	Residue	Details
C	ASP305
C	ARG397
C	CYS115
C	ASN23

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1uae

Chain	Residue	Details
D	ASP305
D	ARG397
D	CYS115
D	ASN23

site_id	MCSA1
Number of Residues	6
Details	M-CSA 369

Chain	Residue	Details
A	LYS22	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
A	ASN23	electrostatic stabiliser, hydrogen bond donor
A	ALA119	activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay
A	LEU124	electrostatic stabiliser, proton acceptor, proton donor
A	GLN309	activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ARG401	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA2
Number of Residues	6
Details	M-CSA 369

Chain	Residue	Details
B	LYS22	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
B	ASN23	electrostatic stabiliser, hydrogen bond donor
B	ALA119	activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay
B	LEU124	electrostatic stabiliser, proton acceptor, proton donor
B	GLN309	activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ARG401	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA3
Number of Residues	6
Details	M-CSA 369

Chain	Residue	Details
C	LYS22	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
C	ASN23	electrostatic stabiliser, hydrogen bond donor
C	ALA119	activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay
C	LEU124	electrostatic stabiliser, proton acceptor, proton donor
C	GLN309	activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ARG401	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA4
Number of Residues	6
Details	M-CSA 369

Chain	Residue	Details
D	LYS22	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
D	ASN23	electrostatic stabiliser, hydrogen bond donor
D	ALA119	activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay
D	LEU124	electrostatic stabiliser, proton acceptor, proton donor
D	GLN309	activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ARG401	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)