ArchDB - Biological DataBase of Protein Loops

Information on SUBCLASS 3.40.1

Subclass Accession number: 3015
Subclass: 3.40.1

Type: EH beta-alpha
DB: ArchDB95

Image coordinates:

Consensus coordinates:

Conserved Annotation
EC : 1.5 (>75 %)  1.5.1 (>75 %)  1.5.1.3
GO : GO:0004146 (>75 %)  GO:0016645 (>75 %)  GO:0016646 (>75 %)
SCOP : 53596 (>75 %)  53597 (>75 %)  53598 (>75 %)

Number of loops: 6

Average sequence ID (%) : 40.0 +/- 25.2
Average RMSD (Å) : 0.200 +/- 0.063

Consensus geometry

d (Å): 11

delta (°): 0-45

theta (°): 135-180

rho (°): 90-135

Consensus Sequence:	hhhGGXp
(φψ)-conformation:	bpaewaa

Pattern:	[ILV]	[FMVW]	[IV]	[AIV]	[G]	[G]	[AGST]	[AEQRS]	[ILV]	[FY]	[EKNT]	[AEQ]
Conservation:	-0.065	-0.786	0.318	-0.450	1.636	1.636	-0.856	-0.990	-0.052	1.274	-0.848	-0.816

Loops included in this Subclass

Loop	PDB	Chain	Start	End	Sequence	Sec Struct	Ramachandran
1aoe_A_106	1aoe	A	109	120	VFIIGGAEIYNE	EEE---HHHHHH	bbxaewaaaaaa
1kmv_A_109	1kmv	A	112	123	VWIVGGSSVYKE	EEE---HHHHHH	bbxaewaaaaaa
1ra9_*_91	1ra9	-	91	102	IMVIGGGRVYEQ	EEE---HHHHHH	bbxaewaaaaaa
3dfr_*_94	3dfr	-	94	105	LVIAGGAQIFTA	EEE---HHHHHH	xbxaewaaaaaa
4cd2_A_115	4cd2	A	120	131	IFVIGGAQLYKA	EEE---HHHHHH	bbxaewaaaaaa
8dfr_*_109	8dfr	-	112	123	VWIVGGTAVYKA	EEE---HHHHHH	bbxaewaaaaaa

PDB ligands within a cut-off distance of 6 Å in this subclass

Loop	PDB	Chain	Ligands	Residue
1aoe_A_106	1aoe	A	GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	I - 111
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	I - 112
1aoe_A_106	1aoe	A	GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	I - 112
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 113
1aoe_A_106	1aoe	A	GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	G - 113
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 114
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	A - 115
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	E - 116
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	I - 117
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	Y - 118
1aoe_A_106	1aoe	A	GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	Y - 118
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	E - 120
1aoe_A_106	1aoe	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	L - 121
1kmv_A_109	1kmv	A	LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	I - 114
1kmv_A_109	1kmv	A	LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	V - 115
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	V - 115
1kmv_A_109	1kmv	A	DMSDIMETHYL SULFOXIDE	V - 115
1kmv_A_109	1kmv	A	LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	G - 116
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 116
1kmv_A_109	1kmv	A	DMSDIMETHYL SULFOXIDE	G - 116
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 117
1kmv_A_109	1kmv	A	DMSDIMETHYL SULFOXIDE	G - 117
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	S - 118
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	S - 119
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	V - 120
1kmv_A_109	1kmv	A	LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	Y - 121
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	Y - 121
1kmv_A_109	1kmv	A	DMSDIMETHYL SULFOXIDE	Y - 121
1kmv_A_109	1kmv	A	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	E - 123
1ra9_*_91	1ra9	*	NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 95
1ra9_*_91	1ra9	*	NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 96
1ra9_*_91	1ra9	*	NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 97
1ra9_*_91	1ra9	*	NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	R - 98
1ra9_*_91	1ra9	*	NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	V - 99
1ra9_*_91	1ra9	*	NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	Y - 100
1ra9_*_91	1ra9	*	NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	Q - 102
3dfr_*_94	3dfr	*	MTXMETHOTREXATE	I - 96
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	A - 97
3dfr_*_94	3dfr	*	MTXMETHOTREXATE	A - 97
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 98
3dfr_*_94	3dfr	*	MTXMETHOTREXATE	G - 98
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	G - 99
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	A - 100
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	Q - 101
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	I - 102
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	F - 103
3dfr_*_94	3dfr	*	MTXMETHOTREXATE	F - 103
3dfr_*_94	3dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	A - 105
4cd2_A_115	4cd2	A	FOLFOLIC ACID	V - 122
4cd2_A_115	4cd2	A	FOLFOLIC ACID	I - 123
4cd2_A_115	4cd2	A	FOLFOLIC ACID	G - 124
4cd2_A_115	4cd2	A	FOLFOLIC ACID	Y - 129
8dfr_*_109	8dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	T - 118
8dfr_*_109	8dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	A - 119
8dfr_*_109	8dfr	*	NDPNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	A - 123

PDB Site Annotated loops in this subclass

Loop	PDB	Chain	Site	Residue
4cd2_A_115	4cd2	A	S1THE BINDING ORIENTATION OF THE PTERIDINE RING OF FOL IN THIS STRUCTURE IS SIMILAR TO THAT OBSERVED IN HDHFR FA BINARY COMPLEXES.	I - 123

Clusters included in this Subclass

CLUSTER: EH.2.114