1AHJ

NITRILE HYDRATASE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0006807	biological_process	obsolete nitrogen compound metabolic process
A	0016829	molecular_function	lyase activity
A	0018822	molecular_function	nitrile hydratase activity
A	0046872	molecular_function	metal ion binding
A	0046914	molecular_function	transition metal ion binding
A	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity
B	0006807	biological_process	obsolete nitrogen compound metabolic process
B	0016829	molecular_function	lyase activity
B	0018822	molecular_function	nitrile hydratase activity
B	0046914	molecular_function	transition metal ion binding
B	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity
C	0003824	molecular_function	catalytic activity
C	0006807	biological_process	obsolete nitrogen compound metabolic process
C	0016829	molecular_function	lyase activity
C	0018822	molecular_function	nitrile hydratase activity
C	0046872	molecular_function	metal ion binding
C	0046914	molecular_function	transition metal ion binding
C	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity
D	0006807	biological_process	obsolete nitrogen compound metabolic process
D	0016829	molecular_function	lyase activity
D	0018822	molecular_function	nitrile hydratase activity
D	0046914	molecular_function	transition metal ion binding
D	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity
E	0003824	molecular_function	catalytic activity
E	0006807	biological_process	obsolete nitrogen compound metabolic process
E	0016829	molecular_function	lyase activity
E	0018822	molecular_function	nitrile hydratase activity
E	0046872	molecular_function	metal ion binding
E	0046914	molecular_function	transition metal ion binding
E	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity
F	0006807	biological_process	obsolete nitrogen compound metabolic process
F	0016829	molecular_function	lyase activity
F	0018822	molecular_function	nitrile hydratase activity
F	0046914	molecular_function	transition metal ion binding
F	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity
G	0003824	molecular_function	catalytic activity
G	0006807	biological_process	obsolete nitrogen compound metabolic process
G	0016829	molecular_function	lyase activity
G	0018822	molecular_function	nitrile hydratase activity
G	0046872	molecular_function	metal ion binding
G	0046914	molecular_function	transition metal ion binding
G	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity
H	0006807	biological_process	obsolete nitrogen compound metabolic process
H	0016829	molecular_function	lyase activity
H	0018822	molecular_function	nitrile hydratase activity
H	0046914	molecular_function	transition metal ion binding
H	0080109	molecular_function	indole-3-acetonitrile nitrile hydratase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE C 208

Chain	Residue
C	CYS110
C	CYS113
C	SER114
C	CYS115

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE A 208

Chain	Residue
A	CYS110
A	CYS113
A	SER114
A	CYS115

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE E 208

Chain	Residue
E	CYS110
E	CYS113
E	SER114
E	CYS115

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE G 208

Chain	Residue
G	CYS110
G	CYS113
G	SER114
G	CYS115

---

site_id	FEA
Number of Residues	4
Details	IRON BINDING SITE.

Chain	Residue
A	CYS110
A	CYS113
A	SER114
C	CYS115

---

site_id	FEC
Number of Residues	4
Details	IRON BINDING SITE.

Chain	Residue
C	CYS110
C	CYS113
C	SER114
C	CYS115

---

site_id	FEE
Number of Residues	4
Details	IRON BINDING SITE.

Chain	Residue
E	CYS113
E	SER114
C	CYS115
E	CYS110

---

site_id	FEG
Number of Residues	4
Details	IRON BINDING SITE.

Chain	Residue
G	CYS110
G	CYS113
G	SER114
C	CYS115

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ

Chain	Residue	Details
A	SER111
E	SER114
E	CYS115
E	THR116
G	SER111
G	SER114
G	CYS115
G	THR116
A	SER114
A	CYS115
A	THR116
C	SER111
C	SER114
C	CYS115
C	THR116
E	SER111

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	MOD_RES: Cysteine sulfinic acid (-SO2H) => ECO:0000269|PubMed:9368004, ECO:0000269|PubMed:9586994

Chain	Residue	Details
A	SER114
C	SER114
E	SER114
G	SER114

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: Cysteine sulfenic acid (-SOH) => ECO:0000269|PubMed:9586994

Chain	Residue	Details
A	THR116
C	THR116
E	THR116
G	THR116

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 57

Chain	Residue	Details
B	ARG56	electrostatic stabiliser, proton acceptor, proton donor
B	TYR72	proton acceptor, proton donor
B	TYR76	increase acidity, increase basicity
A	THR116	electrofuge, metal ligand, nucleophile, proton acceptor, proton donor

---

site_id	MCSA2
Number of Residues	3
Details	M-CSA 57

Chain	Residue	Details
D	ARG56	electrostatic stabiliser, proton acceptor, proton donor
D	TYR72	proton acceptor, proton donor
D	TYR76	increase acidity, increase basicity
C	THR116	electrofuge, metal ligand, nucleophile, proton acceptor, proton donor

---

site_id	MCSA3
Number of Residues	3
Details	M-CSA 57

Chain	Residue	Details
F	ARG56	electrostatic stabiliser, proton acceptor, proton donor
F	TYR72	proton acceptor, proton donor
F	TYR76	increase acidity, increase basicity
E	THR116	electrofuge, metal ligand, nucleophile, proton acceptor, proton donor

---

site_id	MCSA4
Number of Residues	3
Details	M-CSA 57

Chain	Residue	Details
H	ARG56	electrostatic stabiliser, proton acceptor, proton donor
H	TYR72	proton acceptor, proton donor
H	TYR76	increase acidity, increase basicity
G	THR116	electrofuge, metal ligand, nucleophile, proton acceptor, proton donor

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