Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4NWP

Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group R32

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005524	molecular_function	ATP binding
A	0008817	molecular_function	corrinoid adenosyltransferase activity
A	0016740	molecular_function	transferase activity
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0005524	molecular_function	ATP binding
B	0008817	molecular_function	corrinoid adenosyltransferase activity
B	0016740	molecular_function	transferase activity
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0005524	molecular_function	ATP binding
C	0008817	molecular_function	corrinoid adenosyltransferase activity
C	0016740	molecular_function	transferase activity
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0005524	molecular_function	ATP binding
D	0008817	molecular_function	corrinoid adenosyltransferase activity
D	0016740	molecular_function	transferase activity
D	0046872	molecular_function	metal ion binding
E	0008704	molecular_function	5-carboxymethyl-2-hydroxymuconate delta-isomerase activity
E	0009056	biological_process	catabolic process
F	0008704	molecular_function	5-carboxymethyl-2-hydroxymuconate delta-isomerase activity
F	0009056	biological_process	catabolic process
G	0008704	molecular_function	5-carboxymethyl-2-hydroxymuconate delta-isomerase activity
G	0009056	biological_process	catabolic process
H	0008704	molecular_function	5-carboxymethyl-2-hydroxymuconate delta-isomerase activity
H	0009056	biological_process	catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 201

Chain	Residue
A	ARG134
H	ASP73
H	ILE74
H	ARG77

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 202

Chain	Residue
A	SER25
A	THR131
A	ARG134
A	HOH304

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 203

Chain	Residue
A	LYS89
A	ARG93
A	TRP86

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE SO4 A 204

Chain	Residue
A	GLU29
A	ARG124
A	ARG124
A	ARG124
A	LYS128
A	LYS128
A	LYS128
A	HOH303
A	HOH303
A	HOH303
A	HOH309
A	HOH309
A	HOH309

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 205

Chain	Residue
A	TYR47
A	TYR47
A	TYR47

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	ARG124
B	LYS128
B	HOH302
B	HOH306
B	HOH312
C	GLU29
C	ARG124
C	LYS128
C	HOH304
C	HOH305
D	ARG124
D	LYS128
D	HOH302

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 202

Chain	Residue
B	THR131
B	ARG134
B	HOH307
C	SER25

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 203

Chain	Residue
B	HIS46
B	LYS53
B	HOH321

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	TRP86
C	ARG93

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 202

Chain	Residue
C	THR131
C	ARG134
D	SER25

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 203

Chain	Residue
C	HIS46
C	LYS53

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 201

Chain	Residue
B	SER25
D	THR131
D	ARG134
D	HOH303

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 202

Chain	Residue
D	HIS46
D	LYS53

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 203

Chain	Residue
B	TYR47
C	TYR47
D	TYR47

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 201

Chain	Residue
C	ARG134
E	ASP73
E	ILE74
E	ARG77

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 202

Chain	Residue
E	LEU69
E	ARG72
E	ARG111
E	HOH318

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 E 203

Chain	Residue
E	ARG107
E	ARG107
E	ARG107
E	HOH309
E	HOH309
E	HOH309
E	HOH311
E	HOH311
E	HOH311

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 204

Chain	Residue
E	PRO2
E	HIS3
E	LYS41
E	TYR114

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 F 201

Chain	Residue
F	ARG107
F	HOH303
F	HOH306
G	ARG107
H	ARG107
H	HOH304
H	HOH306

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F 202

Chain	Residue
F	LEU69
F	ARG72
F	ARG111
F	HOH310

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F 203

Chain	Residue
B	ARG134
F	ASP73
F	ILE74
F	ARG77

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 204

Chain	Residue
F	PRO2
F	HIS3
F	ASP39
F	LYS41
F	TYR114

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 201

Chain	Residue
D	ARG134
G	ASP73
G	ILE74
G	ARG77

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 G 202

Chain	Residue
G	PRO2
G	HIS3
G	ASP39
G	LYS41
G	TYR114
G	LYS116
H	SER103

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 G 203

Chain	Residue
G	LEU69
G	ARG72
G	ARG111

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H 201

Chain	Residue
G	GLY19
G	HOH327
H	ARG51
H	HOH308

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H 202

Chain	Residue
H	LEU69
H	ARG72
H	ARG111
H	HOH310

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 H 203

Chain	Residue
H	PRO2
H	HIS3
H	ASP39
H	LYS41
H	TYR114
H	LYS116

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NH4 H 204

Chain	Residue
G	MET109
G	GLU110
H	GLU105
H	VAL106
H	HOH304

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)