5JM8

The structure of ATP-bound aerobactin synthetase IucA from a hypervirulent pathotype of Klebsiella pneumoniae

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005524	molecular_function	ATP binding
A	0016881	molecular_function	acid-amino acid ligase activity
A	0019290	biological_process	siderophore biosynthetic process
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0005524	molecular_function	ATP binding
B	0016881	molecular_function	acid-amino acid ligase activity
B	0019290	biological_process	siderophore biosynthetic process
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0005524	molecular_function	ATP binding
C	0016881	molecular_function	acid-amino acid ligase activity
C	0019290	biological_process	siderophore biosynthetic process
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0005524	molecular_function	ATP binding
D	0016881	molecular_function	acid-amino acid ligase activity
D	0019290	biological_process	siderophore biosynthetic process
D	0046872	molecular_function	metal ion binding
E	0000166	molecular_function	nucleotide binding
E	0005524	molecular_function	ATP binding
E	0016881	molecular_function	acid-amino acid ligase activity
E	0019290	biological_process	siderophore biosynthetic process
E	0046872	molecular_function	metal ion binding
F	0000166	molecular_function	nucleotide binding
F	0005524	molecular_function	ATP binding
F	0016881	molecular_function	acid-amino acid ligase activity
F	0019290	biological_process	siderophore biosynthetic process
F	0046872	molecular_function	metal ion binding
G	0000166	molecular_function	nucleotide binding
G	0005524	molecular_function	ATP binding
G	0016881	molecular_function	acid-amino acid ligase activity
G	0019290	biological_process	siderophore biosynthetic process
G	0046872	molecular_function	metal ion binding
H	0000166	molecular_function	nucleotide binding
H	0005524	molecular_function	ATP binding
H	0016881	molecular_function	acid-amino acid ligase activity
H	0019290	biological_process	siderophore biosynthetic process
H	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue ATP A 600

Chain	Residue
A	LEU143
A	ARG347
A	VAL363
A	HIS425
A	GLN426
A	GLN427
A	ARG444
A	ASP445
A	ASN487
A	MG601
A	HOH715
A	GLY146
A	HOH719
A	HOH756
A	HIS147
A	SER262
A	ARG264
A	SER265
A	LYS276
A	THR284
A	ARG288

---

site_id	AC2
Number of Residues	4
Details	binding site for residue MG A 601

Chain	Residue
A	GLN427
A	ASN428
A	ASP445
A	ATP600

---

site_id	AC3
Number of Residues	23
Details	binding site for residue ATP B 600

Chain	Residue
B	LEU143
B	GLY146
B	HIS147
B	SER262
B	ARG264
B	SER265
B	LYS276
B	THR284
B	ARG288
B	ARG347
B	VAL363
B	HIS425
B	GLN426
B	GLN427
B	ASN428
B	ASP445
B	GLN447
B	ASN487
B	MG601
B	HOH705
B	HOH706
B	HOH708
B	HOH713

---

site_id	AC4
Number of Residues	4
Details	binding site for residue MG B 601

Chain	Residue
B	GLN427
B	ASN428
B	ASP445
B	ATP600

---

site_id	AC5
Number of Residues	23
Details	binding site for residue ATP C 600

Chain	Residue
C	LEU143
C	GLY146
C	HIS147
C	SER262
C	ARG264
C	SER265
C	LYS276
C	THR284
C	ARG288
C	ARG347
C	VAL363
C	HIS425
C	GLN426
C	GLN427
C	ASP445
C	GLN447
C	ASN487
C	MG601
C	HOH714
C	HOH717
C	HOH732
C	HOH779
C	HOH793

---

site_id	AC6
Number of Residues	4
Details	binding site for residue MG C 601

Chain	Residue
C	GLN427
C	ASN428
C	ASP445
C	ATP600

---

site_id	AC7
Number of Residues	21
Details	binding site for residue ATP D 600

Chain	Residue
D	HOH755
D	LEU143
D	GLY146
D	HIS147
D	SER262
D	ARG264
D	SER265
D	LYS276
D	THR284
D	ARG288
D	ARG347
D	VAL363
D	HIS425
D	GLN426
D	GLN427
D	ASN428
D	ASP445
D	ASN487
D	MG601
D	HOH721
D	HOH738

---

site_id	AC8
Number of Residues	5
Details	binding site for residue MG D 601

Chain	Residue
D	HIS425
D	GLN427
D	ASN428
D	ASP445
D	ATP600

---

site_id	AC9
Number of Residues	18
Details	binding site for residue ATP E 600

Chain	Residue
E	GLY146
E	HIS147
E	SER262
E	ARG264
E	SER265
E	LYS276
E	THR284
E	ARG288
E	ARG347
E	HIS425
E	GLN427
E	ASP445
E	GLN447
E	ASN487
E	MG601
E	HOH705
E	HOH731
E	HOH739

---

site_id	AD1
Number of Residues	4
Details	binding site for residue MG E 601

Chain	Residue
E	GLN427
E	ASN428
E	ASP445
E	ATP600

---

site_id	AD2
Number of Residues	18
Details	binding site for residue ATP F 600

Chain	Residue
F	LEU143
F	HIS147
F	SER262
F	ARG264
F	SER265
F	LYS276
F	LEU283
F	THR284
F	ARG288
F	ARG347
F	HIS425
F	GLN427
F	ASN428
F	ASP445
F	GLN447
F	ASN487
F	MG601
F	HOH715

---

site_id	AD3
Number of Residues	4
Details	binding site for residue MG F 601

Chain	Residue
F	GLN427
F	ASN428
F	ASP445
F	ATP600

---

site_id	AD4
Number of Residues	23
Details	binding site for residue ATP G 600

Chain	Residue
G	LEU143
G	GLY146
G	HIS147
G	SER262
G	ARG264
G	SER265
G	LYS276
G	THR284
G	ARG288
G	ARG347
G	VAL363
G	HIS425
G	GLN426
G	GLN427
G	ASN428
G	ASP445
G	ASN487
G	MG601
G	HOH716
G	HOH732
G	HOH736
G	HOH761
G	HOH767

---

site_id	AD5
Number of Residues	5
Details	binding site for residue MG G 601

Chain	Residue
G	HIS425
G	GLN427
G	ASN428
G	ASP445
G	ATP600

---

site_id	AD6
Number of Residues	23
Details	binding site for residue ATP H 600

Chain	Residue
H	LEU143
H	GLY146
H	HIS147
H	SER262
H	ARG264
H	SER265
H	LYS276
H	THR284
H	ARG288
H	ARG347
H	VAL363
H	HIS425
H	GLN426
H	GLN427
H	ASN428
H	ASP445
H	GLN447
H	ASN487
H	MG601
H	HOH723
H	HOH730
H	HOH748
H	HOH759

---

site_id	AD7
Number of Residues	5
Details	binding site for residue MG H 601

Chain	Residue
H	HIS425
H	GLN427
H	ASN428
H	ASP445
H	ATP600

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