Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4GI7

Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004594	molecular_function	pantothenate kinase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0015937	biological_process	coenzyme A biosynthetic process
A	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
B	0000166	molecular_function	nucleotide binding
B	0004594	molecular_function	pantothenate kinase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0015937	biological_process	coenzyme A biosynthetic process
B	0016301	molecular_function	kinase activity
B	0016740	molecular_function	transferase activity
C	0000166	molecular_function	nucleotide binding
C	0004594	molecular_function	pantothenate kinase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0015937	biological_process	coenzyme A biosynthetic process
C	0016301	molecular_function	kinase activity
C	0016740	molecular_function	transferase activity
D	0000166	molecular_function	nucleotide binding
D	0004594	molecular_function	pantothenate kinase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0015937	biological_process	coenzyme A biosynthetic process
D	0016301	molecular_function	kinase activity
D	0016740	molecular_function	transferase activity
E	0000166	molecular_function	nucleotide binding
E	0004594	molecular_function	pantothenate kinase activity
E	0005524	molecular_function	ATP binding
E	0005737	cellular_component	cytoplasm
E	0015937	biological_process	coenzyme A biosynthetic process
E	0016301	molecular_function	kinase activity
E	0016740	molecular_function	transferase activity
F	0000166	molecular_function	nucleotide binding
F	0004594	molecular_function	pantothenate kinase activity
F	0005524	molecular_function	ATP binding
F	0005737	cellular_component	cytoplasm
F	0015937	biological_process	coenzyme A biosynthetic process
F	0016301	molecular_function	kinase activity
F	0016740	molecular_function	transferase activity
G	0000166	molecular_function	nucleotide binding
G	0004594	molecular_function	pantothenate kinase activity
G	0005524	molecular_function	ATP binding
G	0005737	cellular_component	cytoplasm
G	0015937	biological_process	coenzyme A biosynthetic process
G	0016301	molecular_function	kinase activity
G	0016740	molecular_function	transferase activity
H	0000166	molecular_function	nucleotide binding
H	0004594	molecular_function	pantothenate kinase activity
H	0005524	molecular_function	ATP binding
H	0005737	cellular_component	cytoplasm
H	0015937	biological_process	coenzyme A biosynthetic process
H	0016301	molecular_function	kinase activity
H	0016740	molecular_function	transferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP A 1401

Chain	Residue
A	ASN1043
A	THR1103
A	ARG1243
A	LYS1303
A	HIS1307
A	HOH1535
A	HOH1571
A	HOH1592
A	HOH1600
A	HOH1622
A	ASP1045
A	LEU1046
A	SER1096
A	ALA1098
A	VAL1099
A	GLY1100
A	LYS1101
A	SER1102

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 0JR A 1402

Chain	Residue
A	ASP1127
A	LYS1145
A	GLY1146
A	HIS1177
A	TYR1180
A	TYR1240
A	TYR1258
A	PHE1259
A	TYR1262
A	LEU1277
A	ASN1282
A	HOH1568
A	HOH1619

site_id	AC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADP C 1401

Chain	Residue
C	ASN1043
C	ASP1045
C	TYR1055
C	SER1096
C	ALA1098
C	VAL1099
C	GLY1100
C	LYS1101
C	SER1102
C	THR1103
C	ARG1243
C	LYS1303
C	HIS1307
C	HOH1533
C	HOH1551
C	HOH1561
C	HOH1571
C	HOH1576
C	HOH1651
C	HOH1653
C	HOH1654

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 0JR C 1402

Chain	Residue
C	ASP1127
C	LYS1145
C	GLY1146
C	HIS1177
C	TYR1180
C	TYR1240
C	PHE1259
C	ASN1282
C	HOH1573
C	HOH1631

site_id	AC5
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP B 1401

Chain	Residue
B	ASN1043
B	ASP1045
B	SER1096
B	ALA1098
B	VAL1099
B	GLY1100
B	LYS1101
B	SER1102
B	THR1103
B	ARG1243
B	LYS1303
B	HIS1307
B	HOH1537
B	HOH1565
B	HOH1574
B	HOH1579
B	HOH1624
B	HOH1625

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 0JR B 1402

Chain	Residue
B	ASP1127
B	LYS1145
B	GLY1146
B	HIS1177
B	TYR1180
B	TYR1240
B	TYR1258
B	PHE1259
B	TYR1262
B	LEU1277
B	ASN1282
B	HOH1575
B	HOH1577

site_id	AC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE ADP D 1401

Chain	Residue
D	GLY1100
D	LYS1101
D	SER1102
D	THR1103
D	ARG1243
D	LYS1303
D	HIS1307
D	HOH1522
D	HOH1523
D	HOH1531
D	HOH1565
D	HOH1582
D	HOH1630
D	HOH1631
D	ASN1043
D	ASP1045
D	TYR1055
D	SER1096
D	ALA1098
D	VAL1099

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 0JR D 1402

Chain	Residue
B	PHE1252
D	ASP1127
D	GLY1146
D	HIS1177
D	TYR1180
D	TYR1240
D	TYR1258
D	PHE1259
D	TYR1262
D	LEU1277
D	ASN1282
D	HOH1599
D	HOH1601

site_id	AC9
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP E 1401

Chain	Residue
E	ASN1043
E	ASP1045
E	LEU1046
E	SER1096
E	ALA1098
E	VAL1099
E	GLY1100
E	LYS1101
E	SER1102
E	THR1103
E	ARG1243
E	LYS1303
E	HIS1307
E	HOH1517
E	HOH1561
E	HOH1564
E	HOH1566
E	HOH1567

site_id	BC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE ADP F 1401

Chain	Residue
F	ASN1043
F	ASP1045
F	SER1096
F	ALA1098
F	VAL1099
F	GLY1100
F	LYS1101
F	SER1102
F	THR1103
F	ARG1243
F	LYS1246
F	LYS1303
F	HIS1307
F	HOH1505
F	HOH1513
F	HOH1529
F	HOH1573
F	HOH1607
F	HOH1611
F	HOH1613

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 0JR F 1402

Chain	Residue
F	ASP1127
F	LYS1145
F	GLY1146
F	TYR1180
F	TYR1240
F	TYR1258
F	TYR1262
F	ASN1282
F	HOH1610

site_id	BC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADP G 1401

Chain	Residue
G	ASN1043
G	ASP1045
G	TYR1055
G	SER1096
G	ALA1098
G	VAL1099
G	GLY1100
G	LYS1101
G	SER1102
G	THR1103
G	ARG1243
G	LYS1303
G	HIS1307
G	HOH1559
G	HOH1578
G	HOH1595
G	HOH1611
G	HOH1618
G	HOH1624
G	HOH1649
G	HOH1651

site_id	BC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADP H 1401

Chain	Residue
H	ASN1043
H	ASP1045
H	SER1096
H	ALA1098
H	VAL1099
H	GLY1100
H	LYS1101
H	SER1102
H	THR1103
H	ARG1243
H	LYS1303
H	HIS1307
H	HOH1517
H	HOH1520
H	HOH1543
H	HOH1629
H	HOH1633
H	HOH1639
H	HOH1640
H	HOH1641
H	HOH1643

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	56
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00215","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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