Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3N1S

Crystal structure of wild type ecHint GMP complex

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0016787	molecular_function	hydrolase activity
A	0042803	molecular_function	protein homodimerization activity
A	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
A	0055130	biological_process	D-alanine catabolic process
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0016787	molecular_function	hydrolase activity
B	0042803	molecular_function	protein homodimerization activity
B	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
B	0055130	biological_process	D-alanine catabolic process
E	0000166	molecular_function	nucleotide binding
E	0003824	molecular_function	catalytic activity
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0016787	molecular_function	hydrolase activity
E	0042803	molecular_function	protein homodimerization activity
E	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
E	0055130	biological_process	D-alanine catabolic process
F	0000166	molecular_function	nucleotide binding
F	0003824	molecular_function	catalytic activity
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0016787	molecular_function	hydrolase activity
F	0042803	molecular_function	protein homodimerization activity
F	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
F	0055130	biological_process	D-alanine catabolic process
I	0000166	molecular_function	nucleotide binding
I	0003824	molecular_function	catalytic activity
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0016787	molecular_function	hydrolase activity
I	0042803	molecular_function	protein homodimerization activity
I	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
I	0055130	biological_process	D-alanine catabolic process
J	0000166	molecular_function	nucleotide binding
J	0003824	molecular_function	catalytic activity
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0016787	molecular_function	hydrolase activity
J	0042803	molecular_function	protein homodimerization activity
J	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
J	0055130	biological_process	D-alanine catabolic process
M	0000166	molecular_function	nucleotide binding
M	0003824	molecular_function	catalytic activity
M	0005737	cellular_component	cytoplasm
M	0005829	cellular_component	cytosol
M	0016787	molecular_function	hydrolase activity
M	0042803	molecular_function	protein homodimerization activity
M	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
M	0055130	biological_process	D-alanine catabolic process
N	0000166	molecular_function	nucleotide binding
N	0003824	molecular_function	catalytic activity
N	0005737	cellular_component	cytoplasm
N	0005829	cellular_component	cytosol
N	0016787	molecular_function	hydrolase activity
N	0042803	molecular_function	protein homodimerization activity
N	0043530	molecular_function	adenosine 5'-monophosphoramidase activity
N	0055130	biological_process	D-alanine catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 5GP A 201

Chain	Residue
A	ILE6
A	GLY94
A	GLU96
A	VAL97
A	HIS101
A	HIS103
A	HOH123
A	HOH128
A	HOH188
A	HOH197
A	HOH732
A	PHE7
A	HOH1131
J	HOH137
A	ILE10
A	PHE29
A	ARG30
A	ASP31
A	ILE32
A	LEU41
A	ASN88

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 120

Chain	Residue
A	PRO109
A	LEU110
A	GLY111
A	HOH658
B	HIS92
B	GLY94
B	EDO125

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 121

Chain	Residue
A	MET113
A	HOH979
B	GLN35
B	EDO125
B	5GP200

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 122

Chain	Residue
A	ILE32
A	PRO34
A	HOH466
I	PRO109
I	GLY111
J	LYS117
J	GLY118

site_id	AC5
Number of Residues	19
Details	BINDING SITE FOR RESIDUE 5GP B 200

Chain	Residue
A	EDO121
B	PHE7
B	PHE29
B	ARG30
B	ASP31
B	ILE32
B	LEU41
B	ASN88
B	GLY94
B	GLU96
B	VAL97
B	HIS101
B	HIS103
B	EDO120
B	HOH251
B	HOH395
B	HOH1114
B	HOH1135
B	HOH1165

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 120

Chain	Residue
B	ILE10
B	SER17
B	ASP18
B	PHE29
B	5GP200

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 121

Chain	Residue
B	PRO34
B	PRO37
B	THR38
B	HIS39
B	HOH243

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 122

Chain	Residue
A	ARG91
A	HIS92
B	PRO109
B	LEU110
B	GLY111
B	HOH666
B	HOH884

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 123

Chain	Residue
B	GLN22
B	ASP23
B	HOH154
B	HOH495
B	HOH531

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 124

Chain	Residue
B	ALA73
B	GLU74
B	GLY77
B	ILE78
B	ALA79
B	GLU80

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE EDO B 125

Chain	Residue
A	ARG84
A	GLY111
A	PRO112
A	MET113
A	EDO120
A	EDO121
B	ASN88
B	GLY93
B	GLY94
B	HOH404
B	HOH697

site_id	BC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 5GP E 203

Chain	Residue
E	ILE10
E	PHE29
E	ARG30
E	ASP31
E	ILE32
E	LEU41
E	ASN88
E	GLY94
E	GLU96
E	VAL97
E	HIS101
E	HIS103
E	HOH123
E	HOH127
E	HOH140
E	HOH152
E	HOH574
E	HOH800
E	HOH891
E	HOH993
E	PHE7

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO E 120

Chain	Residue
E	PRO109
E	LEU110
E	GLY111
F	HIS92

site_id	BC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE 5GP F 202

Chain	Residue
F	PHE29
F	ARG30
F	ASP31
F	ILE32
F	LEU41
F	ASN88
F	GLY94
F	GLN95
F	GLU96
F	VAL97
F	HIS101
F	HIS103
F	HOH155
F	HOH263
F	HOH388
F	HOH437
F	HOH497
F	HOH605
F	HOH994
F	HOH1143

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO F 120

Chain	Residue
A	HOH459
F	GLU57

site_id	BC7
Number of Residues	19
Details	BINDING SITE FOR RESIDUE 5GP I 205

Chain	Residue
I	PHE7
I	PHE29
I	ARG30
I	ASP31
I	ILE32
I	LEU41
I	ASN88
I	GLY94
I	GLN95
I	GLU96
I	VAL97
I	HIS101
I	HIS103
I	EDO123
I	HOH245
I	HOH248
I	HOH284
I	HOH322
I	HOH1007

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO I 120

Chain	Residue
I	PRO34
I	PRO37
I	THR38
I	HIS39
I	HOH487

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO I 121

Chain	Residue
I	GLU74
I	GLN75
I	HOH642

site_id	CC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO I 122

Chain	Residue
I	GLU57
I	HOH608

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO I 123

Chain	Residue
I	GLN35
I	ASN88
I	5GP205
I	HOH358
I	HOH430
J	MET113

site_id	CC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 5GP J 204

Chain	Residue
A	HIS116
J	PHE7
J	ILE10
J	PHE29
J	ARG30
J	ASP31
J	ILE32
J	LEU41
J	ASN88
J	GLY94
J	GLU96
J	VAL97
J	HIS101
J	HIS103
J	HOH130
J	HOH327
J	HOH354
J	HOH360
J	HOH553
J	HOH603
J	HOH1154

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO J 120

Chain	Residue
J	GLU4
J	SER8
J	ARG12
J	ASN45
J	HOH879

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO J 121

Chain	Residue
B	LEU119
J	PRO34
J	GLN35
J	ALA36
J	PRO37
J	ARG108
J	HOH573
N	GLU3

site_id	CC6
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 5GP M 207

Chain	Residue
M	ILE6
M	PHE29
M	ARG30
M	ASP31
M	ILE32
M	LEU41
M	ASN88
M	GLY94
M	GLN95
M	GLU96
M	VAL97
M	HIS101
M	HIS103
M	HOH130
M	HOH313
M	HOH431
M	HOH594
M	HOH829
M	HOH935
M	HOH966
M	HOH975

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO M 120

Chain	Residue
F	LYS117
M	PRO109
M	LEU110
M	GLY111
M	HOH539
N	HIS92

site_id	CC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO M 121

Chain	Residue
M	GLN75
M	HOH389
M	HOH926

site_id	CC9
Number of Residues	27
Details	BINDING SITE FOR RESIDUE 5GP N 206

Chain	Residue
F	HIS116
N	ILE6
N	PHE7
N	ILE10
N	PHE29
N	ARG30
N	ASP31
N	ILE32
N	LEU41
N	ASN88
N	GLY94
N	GLN95
N	GLU96
N	VAL97
N	HIS101
N	HIS103
N	EDO121
N	EDO123
N	HOH132
N	HOH140
N	HOH147
N	HOH312
N	HOH391
N	HOH515
N	HOH554
N	HOH1163
N	HOH1167

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO N 120

Chain	Residue
N	ARG12
N	ARG13
N	GLU14

site_id	DC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO N 121

Chain	Residue
F	LYS117
F	HOH518
M	ARG84
M	GLY111
M	MET113
N	ASN88
N	GLY93
N	GLY94
N	5GP206

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO N 122

Chain	Residue
N	ARG12
N	ASN45
N	HOH390
N	HOH421

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO N 123

Chain	Residue
J	MET1
N	SER17
N	ASP18
N	ARG30
N	5GP206
N	HOH391

site_id	DC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO N 124

Chain	Residue
B	GLU80
B	ASP81
N	TYR21
N	GLN22
N	HOH1111

site_id	DC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO N 125

Chain	Residue
N	ASP81

Functional Information from PROSITE/UniProt

site_id	PS00892
Number of Residues	19
Details	HIT_1 HIT domain signature. NtnrhGgQeVyHIHMHLLG

Chain	Residue	Details
A	ASN88-GLY106

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	763
Details	Domain: {"description":"HIT","evidences":[{"source":"PROSITE-ProRule","id":"PRU00464","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	48
Details	Motif: {"description":"Histidine triad motif","evidences":[{"source":"PubMed","id":"20934431","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	8
Details	Active site: {"description":"Tele-AMP-histidine intermediate","evidences":[{"source":"PubMed","id":"15703176","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20934431","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	48
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20934431","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3N1S","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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