2AR8

The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0004497	molecular_function	monooxygenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0017000	biological_process	antibiotic biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 700

Chain	Residue
A	PRO344
A	SER347
A	THR348
A	GLY349
A	FAD600

---

site_id	AC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE CTE A 650

Chain	Residue
A	HIS101
A	LEU102
A	PHE103
A	GLU346
A	SER347
A	TYR443
A	TYR444
A	GLU450
A	PHE454
A	TRP455
A	ASN459
A	HOH730
A	HOH774
A	HOH834
A	ILE52
A	PRO53
A	LYS79
A	ILE82

---

site_id	AC3
Number of Residues	38
Details	BINDING SITE FOR RESIDUE FAD A 600

Chain	Residue
A	GLY12
A	GLY13
A	GLY14
A	THR15
A	ALA16
A	SER39
A	ILE42
A	ARG44
A	ILE45
A	VAL47
A	GLU49
A	ALA50
A	ASP185
A	GLU186
A	VAL187
A	CYS217
A	SER218
A	GLY219
A	ARG221
A	LEU223
A	TRP274
A	GLY336
A	LEU337
A	PHE341
A	PRO344
A	GLY349
A	ILE350
A	CL700
A	HOH703
A	HOH707
A	HOH729
A	HOH758
A	HOH783
A	HOH789
A	HOH865
A	HOH887
A	HOH900
A	HOH905

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:16195462

Chain	Residue	Details
A	LYS79

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:16195462, ECO:0000269|PubMed:18979475, ECO:0007744|PDB:2APG, ECO:0007744|PDB:2AQJ, ECO:0007744|PDB:2AR8, ECO:0007744|PDB:2JKC

Chain	Residue	Details
A	SER39
A	VAL187
A	LEU337
A	ILE350
A	ILE42
A	ILE45
A	ALA50
A	GLY13

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:16195462, ECO:0007744|PDB:2APG, ECO:0007744|PDB:2AR8

Chain	Residue	Details
A	THR15

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:16195462, ECO:0007744|PDB:2APG, ECO:0007744|PDB:2AQJ, ECO:0007744|PDB:2AR8

Chain	Residue	Details
A	GLU49
A	THR348
A	GLY349
A	ALA16

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:16195462, ECO:0007744|PDB:2AR8

Chain	Residue	Details
A	LYS79

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:16195462, ECO:0007744|PDB:2AQJ

Chain	Residue	Details
A	GLU346
A	GLU450

---

site_id	SWS_FT_FI7
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:16195462, ECO:0000269|PubMed:18979475, ECO:0007744|PDB:2AQJ, ECO:0007744|PDB:2JKC

Chain	Residue	Details
A	TYR443
A	TYR444
A	PHE454

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	SITE: Role in guiding and activating HOCl

Chain	Residue	Details
A	LYS79

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	SITE: Important for activity => ECO:0000305|PubMed:16195462, ECO:0000305|PubMed:18979475

Chain	Residue	Details
A	GLU346

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	2
Details	M-CSA 977

Chain	Residue	Details
A	LYS79	activator, hydrogen bond donor, proton donor
A	GLU346	proton acceptor

---