4RAS

Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005886	cellular_component	plasma membrane
A	0046872	molecular_function	metal ion binding
A	0051539	molecular_function	4 iron, 4 sulfur cluster binding
B	0005886	cellular_component	plasma membrane
B	0046872	molecular_function	metal ion binding
B	0051539	molecular_function	4 iron, 4 sulfur cluster binding
C	0005886	cellular_component	plasma membrane
C	0046872	molecular_function	metal ion binding
C	0051539	molecular_function	4 iron, 4 sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 A 801

Chain	Residue
A	ARG473
A	PHE511
A	CYS512
A	CYS515
A	CYS518
A	CYS568
A	PRO569

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SF4 A 802

Chain	Residue
A	CYS548
A	CYS561
A	CYS564
A	B12803
A	CYS522
A	PRO523

---

site_id	AC3
Number of Residues	38
Details	BINDING SITE FOR RESIDUE B12 A 803

Chain	Residue
A	ASP289
A	PHE290
A	PHE291
A	TYR379
A	GLN403
A	SER422
A	TYR426
A	VAL457
A	ILE458
A	HIS459
A	ASN460
A	ILE463
A	VAL471
A	ILE474
A	ASP476
A	THR477
A	LEU478
A	SER487
A	LYS488
A	SER489
A	PHE535
A	TYR538
A	ILE540
A	LYS542
A	VAL545
A	THR549
A	ARG552
A	CYS561
A	GLY562
A	MET565
A	SF4802
A	CL804
A	HOH994
A	HOH995
A	HOH1016
A	HOH1017
A	HOH1020
A	HOH1022

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 804

Chain	Residue
A	TYR426
A	LYS488
A	ARG552
A	B12803

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 805

Chain	Residue
A	LYS566
A	CYS568
A	ASN571
A	HOH1010
A	HOH1011

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SF4 B 801

Chain	Residue
B	ARG473
B	CYS512
B	CYS515
B	CYS518
B	CYS568
B	PRO569

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SF4 B 802

Chain	Residue
B	CYS522
B	CYS548
B	CYS561
B	CYS564
B	B12803

---

site_id	AC8
Number of Residues	34
Details	BINDING SITE FOR RESIDUE B12 B 803

Chain	Residue
B	SF4802
B	CL804
B	HOH903
B	HOH913
B	HOH968
B	HOH971
B	ASP289
B	PHE290
B	PHE291
B	TYR379
B	GLN403
B	SER422
B	TYR426
B	VAL457
B	ILE458
B	HIS459
B	ASN460
B	ILE463
B	VAL471
B	ILE474
B	ASP476
B	THR477
B	LEU478
B	SER487
B	LYS488
B	SER489
B	PHE535
B	TYR538
B	ILE540
B	LYS542
B	THR549
B	ARG552
B	CYS561
B	GLY562

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 804

Chain	Residue
B	TYR426
B	LYS488
B	ARG552
B	B12803

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B 805

Chain	Residue
B	LYS566
B	CYS568
B	ASN571
B	HOH980
B	HOH981

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 C 801

Chain	Residue
C	ARG473
C	PHE511
C	CYS512
C	CYS515
C	CYS518
C	CYS568
C	PRO569
C	TRP570

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SF4 C 802

Chain	Residue
C	CYS522
C	CYS548
C	CYS561
C	CYS564

---

site_id	BC4
Number of Residues	33
Details	BINDING SITE FOR RESIDUE B12 C 803

Chain	Residue
C	ASP289
C	PHE290
C	PHE291
C	TYR379
C	GLN403
C	SER422
C	TYR426
C	VAL457
C	ILE458
C	HIS459
C	ASN460
C	PRO461
C	ILE463
C	ILE474
C	ASP476
C	THR477
C	LEU478
C	SER487
C	LYS488
C	SER489
C	PHE535
C	TYR538
C	LYS542
C	ALA543
C	VAL545
C	THR549
C	ARG552
C	CYS561
C	GLY562
C	MET565
C	CL804
C	HOH926
C	HOH942

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL C 804

Chain	Residue
C	TYR426
C	LYS488
C	ARG552
C	B12803

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA C 805

Chain	Residue
C	LYS566
C	CYS568
C	ASN571

---

Functional Information from PROSITE/UniProt

site_id	PS00198
Number of Residues	12
Details	4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CnQCRkCArECP

Chain	Residue	Details
A	CYS512-PRO523

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