4B42

Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000271	biological_process	polysaccharide biosynthetic process
A	0005829	cellular_component	cytosol
A	0008879	molecular_function	glucose-1-phosphate thymidylyltransferase activity
A	0009058	biological_process	biosynthetic process
A	0009244	biological_process	lipopolysaccharide core region biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016779	molecular_function	nucleotidyltransferase activity
A	0019305	biological_process	dTDP-rhamnose biosynthetic process
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0000271	biological_process	polysaccharide biosynthetic process
B	0005829	cellular_component	cytosol
B	0008879	molecular_function	glucose-1-phosphate thymidylyltransferase activity
B	0009058	biological_process	biosynthetic process
B	0009244	biological_process	lipopolysaccharide core region biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016779	molecular_function	nucleotidyltransferase activity
B	0019305	biological_process	dTDP-rhamnose biosynthetic process
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0000271	biological_process	polysaccharide biosynthetic process
C	0005829	cellular_component	cytosol
C	0008879	molecular_function	glucose-1-phosphate thymidylyltransferase activity
C	0009058	biological_process	biosynthetic process
C	0009244	biological_process	lipopolysaccharide core region biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016779	molecular_function	nucleotidyltransferase activity
C	0019305	biological_process	dTDP-rhamnose biosynthetic process
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0000271	biological_process	polysaccharide biosynthetic process
D	0005829	cellular_component	cytosol
D	0008879	molecular_function	glucose-1-phosphate thymidylyltransferase activity
D	0009058	biological_process	biosynthetic process
D	0009244	biological_process	lipopolysaccharide core region biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016779	molecular_function	nucleotidyltransferase activity
D	0019305	biological_process	dTDP-rhamnose biosynthetic process
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 942 A 1294

Chain	Residue
A	SER41
A	ILE256
A	ARG259
A	HOH2055
A	HOH2056
A	THR42
A	TYR113
A	GLY115
A	ARG219
A	LYS249
A	VAL250
A	ALA251
A	GLU255

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1295

Chain	Residue
A	HIS116
A	GLY220

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MES A 1296

Chain	Residue
A	PHE150
A	GLY154
A	LYS155
A	ALA156
A	LEU212
A	SER213
A	VAL214
A	TYR293

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 942 B 1294

Chain	Residue
B	SER41
B	THR42
B	TYR113
B	TYR114
B	GLY115
B	ARG219
B	VAL250
B	ALA251
B	GLU255
B	ILE256
B	ARG259
B	HOH2047

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 1295

Chain	Residue
B	HIS116
B	GLY220

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MES B 1296

Chain	Residue
B	PHE150
B	GLY154
B	ALA156
B	SER213
B	VAL214
B	TYR293

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 942 C 1294

Chain	Residue
C	LEU45
C	TYR113
C	GLY115
C	ARG219
C	LYS249
C	VAL250
C	ALA251
C	GLU255
C	ILE256
C	HOH2047

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL C 1295

Chain	Residue
C	HIS116
C	GLY220

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MES C 1296

Chain	Residue
C	GLY154
C	ALA156
C	LEU212
C	SER213
C	VAL214

---

site_id	BC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 942 D 1294

Chain	Residue
D	SER41
D	THR42
D	LEU45
D	TYR113
D	TYR114
D	GLY115
D	ARG219
D	LYS249
D	VAL250
D	ALA251
D	GLU255
D	ILE256
D	ARG259
D	HOH2040
D	HOH2041

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 1295

Chain	Residue
D	HIS116
D	GLY220

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MES D 1296

Chain	Residue
D	GLY154
D	LYS155
D	ALA156
D	LEU212
D	SER213
D	VAL214
D	ILE216
D	TYR293

---