2X1E

The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005777	cellular_component	peroxisome
A	0005782	cellular_component	peroxisomal matrix
A	0016746	molecular_function	acyltransferase activity
A	0017000	biological_process	antibiotic biosynthetic process
A	0042318	biological_process	penicillin biosynthetic process
A	0050640	molecular_function	isopenicillin-N N-acyltransferase activity
B	0005777	cellular_component	peroxisome
B	0005782	cellular_component	peroxisomal matrix
B	0016746	molecular_function	acyltransferase activity
B	0017000	biological_process	antibiotic biosynthetic process
B	0042318	biological_process	penicillin biosynthetic process
B	0050640	molecular_function	isopenicillin-N N-acyltransferase activity
C	0005777	cellular_component	peroxisome
C	0005782	cellular_component	peroxisomal matrix
C	0016746	molecular_function	acyltransferase activity
C	0017000	biological_process	antibiotic biosynthetic process
C	0042318	biological_process	penicillin biosynthetic process
C	0050640	molecular_function	isopenicillin-N N-acyltransferase activity
D	0005777	cellular_component	peroxisome
D	0005782	cellular_component	peroxisomal matrix
D	0016746	molecular_function	acyltransferase activity
D	0017000	biological_process	antibiotic biosynthetic process
D	0042318	biological_process	penicillin biosynthetic process
D	0050640	molecular_function	isopenicillin-N N-acyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 D 1356

Chain	Residue
D	ARG132
D	LYS144
D	VAL341
D	MET342
D	ARG343
D	HOH2091

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 A 1356

Chain	Residue
A	MET342
A	ARG343
A	GOL1357
A	HOH2087
A	HOH2095
A	ARG132
A	LYS144
A	VAL341

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 B 1357

Chain	Residue
B	ARG132
B	LYS144
B	VAL341
B	MET342
B	ARG343

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1357

Chain	Residue
A	HIS3
A	THR134
A	ARG136
A	LYS144
A	ASP345
A	ASP348
A	PO41356
A	HOH2087

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1356

Chain	Residue
B	GLU16
C	HIS3
C	ARG132
C	LYS144
C	VAL341
C	MET342
C	ARG343

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL C 1357

Chain	Residue
B	GLU16
B	ALA20
C	THR134
C	ARG136
C	LYS144
C	ARG343
C	ASP345
C	ASP348
C	HOH2096
C	HOH2097

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1358

Chain	Residue
B	GLN7
B	GLU12
C	MET1
C	ARG132
C	GLU338
C	HOH2098

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE X1E A 1358

Chain	Residue
A	CSD103
A	ASP121
A	PHE122
A	ARG302
A	ARG310
A	GLY311
A	HOH2031
A	HOH2096
A	HOH2097

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1359

Chain	Residue
B	ARG136
B	ASP345
C	GLU325
C	VAL341
C	HOH2099

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1359

Chain	Residue
A	ILE36
A	ASP44
A	LYS48
A	MET85

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 1358

Chain	Residue
B	PHE340
B	VAL341
B	VAL341

---

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL D 1357

Chain	Residue
D	ASP44

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:20223213, ECO:0007744|PDB:2X1E

Chain	Residue	Details
A	ASP121
A	ARG310
B	ASP121
B	ARG310
C	ASP121
C	ARG310
D	ASP121
D	ARG310

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