1BS4

PEPTIDE DEFORMYLASE AS ZN2+ CONTAINING FORM (NATIVE) IN COMPLEX WITH INHIBITOR POLYETHYLENE GLYCOL

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
A	0005829	cellular_component	cytosol
A	0006412	biological_process	translation
A	0008198	molecular_function	ferrous iron binding
A	0008270	molecular_function	zinc ion binding
A	0016787	molecular_function	hydrolase activity
A	0042586	molecular_function	peptide deformylase activity
A	0043022	molecular_function	ribosome binding
A	0043686	biological_process	co-translational protein modification
A	0046872	molecular_function	metal ion binding
B	0005515	molecular_function	protein binding
B	0005829	cellular_component	cytosol
B	0006412	biological_process	translation
B	0008198	molecular_function	ferrous iron binding
B	0008270	molecular_function	zinc ion binding
B	0016787	molecular_function	hydrolase activity
B	0042586	molecular_function	peptide deformylase activity
B	0043022	molecular_function	ribosome binding
B	0043686	biological_process	co-translational protein modification
B	0046872	molecular_function	metal ion binding
C	0005515	molecular_function	protein binding
C	0005829	cellular_component	cytosol
C	0006412	biological_process	translation
C	0008198	molecular_function	ferrous iron binding
C	0008270	molecular_function	zinc ion binding
C	0016787	molecular_function	hydrolase activity
C	0042586	molecular_function	peptide deformylase activity
C	0043022	molecular_function	ribosome binding
C	0043686	biological_process	co-translational protein modification
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 3001

Chain	Residue
B	LYS518
B	HIS554
B	GLN555
B	HOH2064
C	ARG1029

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site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 3002

Chain	Residue
B	ARG529
C	HOH137
C	ILE1053
C	HIS1054
C	GLN1055

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site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 2001

Chain	Residue
A	GLN50
A	CYS90
A	HIS132
A	HIS136
A	HOH8068

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site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 2002

Chain	Residue
B	CYS590
B	HIS632
B	HIS636
B	HOH9254

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 2003

Chain	Residue
C	CYS1090
C	HIS1132
C	HIS1136
C	HOH9255

---

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 2PE A 170

Chain	Residue
A	GLU41
A	GLU42
A	GLY43
A	ILE44
A	GLY45
A	GLU88
A	GLY89
A	LEU91
A	PRO94
A	GLU95
A	ARG97
A	HIS132
A	GLU133
B	LEU649

---

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 2PE B 2

Chain	Residue
B	GLU541
B	GLU542
B	GLY543
B	ILE544
B	GLU587
B	GLY589
B	LEU591
B	ARG597
B	CYS629
B	GLU633
B	HOH9094
C	LYS1018

---

site_id	AC8
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 2PE C 3

Chain	Residue
C	HOH210
C	GLU1042
C	GLY1043
C	ILE1044
C	GLY1045
C	GLU1087
C	GLU1088
C	GLY1089
C	CYS1090
C	LEU1091
C	PRO1094
C	GLU1095
C	ARG1097
C	CYS1129
C	HIS1132
C	GLU1133

---

site_id	ZNA
Number of Residues	3
Details	ONE PEG MOLECULE IS LOCATED IN ACTIVE SITE NEAR ZINC ION

Chain	Residue
A	CYS90
A	HIS132
A	HIS136

---

site_id	ZNB
Number of Residues	3
Details	ONE PEG MOLECULE IS LOCATED IN ACTIVE SITE NEAR ZINC ION

Chain	Residue
B	CYS590
B	HIS632
B	HIS636

---

site_id	ZNC
Number of Residues	3
Details	ONE PEG MOLECULE IS LOCATED IN ACTIVE SITE NEAR ZINC ION

Chain	Residue
C	CYS1090
C	HIS1132
C	HIS1136

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:9846875

Chain	Residue	Details
A	MET134
B	MET634
C	MET1134

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	BINDING: BINDING => ECO:0000269|PubMed:9846875

Chain	Residue	Details
A	LEU91
A	GLU133
A	LEU137
B	LEU591
B	GLU633
B	LEU637
C	LEU1091
C	GLU1133
C	LEU1137

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 9126850, 9374869, 10200158

Chain	Residue	Details
A	GLU133
A	GLY45
A	LEU91
A	GLN50

---

site_id	CSA2
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 9126850, 9374869, 10200158

Chain	Residue	Details
B	LEU591
B	GLN550
B	GLU633
B	GLY545

---

site_id	CSA3
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 9126850, 9374869, 10200158

Chain	Residue	Details
C	GLN1050
C	GLY1045
C	LEU1091
C	GLU1133

---

site_id	MCSA1
Number of Residues	7
Details	M-CSA 98

Chain	Residue	Details
A	LEU46	activator, hydrogen bond acceptor
A	VAL51	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
A	LEU91	metal ligand
A	SER92	electrostatic stabiliser, hydrogen bond donor
A	GLU133	metal ligand
A	MET134	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LEU137	metal ligand

---

site_id	MCSA2
Number of Residues	7
Details	M-CSA 98

Chain	Residue	Details
B	LEU546	activator, hydrogen bond acceptor
B	VAL551	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
B	LEU591	metal ligand
B	SER592	electrostatic stabiliser, hydrogen bond donor
B	GLU633	metal ligand
B	MET634	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	LEU637	metal ligand

---

site_id	MCSA3
Number of Residues	7
Details	M-CSA 98

Chain	Residue	Details
C	LEU1046	activator, hydrogen bond acceptor
C	VAL1051	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
C	LEU1091	metal ligand
C	SER1092	electrostatic stabiliser, hydrogen bond donor
C	GLU1133	metal ligand
C	MET1134	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	LEU1137	metal ligand

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