SIMILAR PATTERNS OF AMINO ACIDS FOR 1TD2_B_PXLB289_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		5 HIS A  46
THR A  47
VAL A 115
VAL A 231
ASP A 235
 None
None
ZN  A 402 ( 4.6A)
None
None
 0.72A 1td2B-1rfvA:
37.4		 1td2B-1rfvA:
32.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		5 HIS A  46
TYR A  84
VAL A 115
VAL A 231
ASP A 235
 None
None
ZN  A 402 ( 4.6A)
None
None
 0.81A 1td2B-1rfvA:
37.4		 1td2B-1rfvA:
32.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		5 SER A  12
HIS A  46
THR A  47
VAL A 231
ASP A 235
 None
 0.43A 1td2B-1rfvA:
37.4		 1td2B-1rfvA:
32.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xro HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGV

(Pseudomonas
putida) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 SER A 219
ALA A 221
THR A 145
VAL A 120
VAL A 223
 None
 1.05A 1td2B-2xroA:
undetectable		 1td2B-2xroA:
24.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fhx PYRIDOXAL KINASE

(Homo sapiens) 		PF08543
(Phos_pyr_kin) 		5 HIS A  46
THR A  47
TYR A  84
VAL A 115
VAL A 231
 PXL  A 313 (-4.9A)
PXL  A 313 (-2.7A)
PXL  A 313 ( 4.6A)
ATP  A 407 ( 4.5A)
SO4  A 314 ( 4.0A)
 0.87A 1td2B-3fhxA:
37.8		 1td2B-3fhxA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fhx PYRIDOXAL KINASE

(Homo sapiens) 		PF08543
(Phos_pyr_kin) 		5 SER A  12
HIS A  46
THR A  47
VAL A 115
VAL A 231
 PXL  A 313 (-3.3A)
PXL  A 313 (-4.9A)
PXL  A 313 (-2.7A)
ATP  A 407 ( 4.5A)
SO4  A 314 ( 4.0A)
 0.91A 1td2B-3fhxA:
37.8		 1td2B-3fhxA:
31.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 SER A 290
ALA A 318
HIS A 317
VAL A 332
VAL A 321
 None
 1.25A 1td2B-3kwlA:
undetectable		 1td2B-3kwlA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 SER A 290
ALA A 318
THR A 283
VAL A 332
VAL A 321
 None
 1.39A 1td2B-3kwlA:
undetectable		 1td2B-3kwlA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mbh PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacteroides
thetaiotaomicron) 		PF08543
(Phos_pyr_kin) 		5 HIS A  48
THR A  49
TYR A  84
VAL A 113
ASP A 224
 None
PXL  A 400 (-2.9A)
PXL  A 400 (-3.7A)
PXL  A 400 (-4.4A)
PXL  A 400 (-2.4A)
 0.40A 1td2B-3mbhA:
34.3		 1td2B-3mbhA:
27.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		7 ALA A  16
HIS A  43
THR A  44
TYR A  82
VAL A 113
VAL A 219
ASP A 223
 None
None
None
None
None
SO4  A 288 (-3.6A)
SO4  A 288 (-3.4A)
 0.81A 1td2B-3pzsA:
46.4		 1td2B-3pzsA:
74.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		6 SER A   9
ALA A  16
HIS A  43
THR A  44
VAL A 219
ASP A 223
 None
None
None
None
SO4  A 288 (-3.6A)
SO4  A 288 (-3.4A)
 0.68A 1td2B-3pzsA:
46.4		 1td2B-3pzsA:
74.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		5 SER A  11
HIS A  45
TYR A  84
VAL A 119
ASP A 229
 None
None
None
ATP  A1301 ( 3.9A)
ATP  A1301 ( 4.5A)
 0.82A 1td2B-3zs7A:
35.1		 1td2B-3zs7A:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s1i PYRIDOXAL KINASE

(Entamoeba
histolytica) 		PF08543
(Phos_pyr_kin) 		5 SER B  10
HIS B  44
THR B  45
TYR B  83
ASP B 218
 PLP  B 302 (-2.4A)
PLP  B 302 (-3.8A)
PLP  B 302 (-3.2A)
PLP  B 302 (-3.8A)
PLP  B 302 (-3.5A)
 0.31A 1td2B-4s1iB:
33.0		 1td2B-4s1iB:
27.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		7 SER A  12
ALA A  19
HIS A  46
THR A  47
VAL A 116
VAL A 221
ASP A 225
 TRS  A 301 (-3.1A)
TRS  A 301 ( 3.7A)
None
TRS  A 301 (-3.0A)
MG  A 302 (-4.8A)
None
MG  A 302 (-3.0A)
 0.80A 1td2B-5b6aA:
43.7		 1td2B-5b6aA:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		5 SER A   9
ALA A  16
HIS A  43
VAL A 217
ASP A 221
 None
 0.38A 1td2B-5tqiA:
43.7		 1td2B-5tqiA:
50.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		7 ALA A  17
HIS A  44
THR A  45
TYR A  83
VAL A 114
VAL A 218
ASP A 222
 None
 0.79A 1td2B-5trwA:
44.0		 1td2B-5trwA:
54.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		7 SER A  10
ALA A  17
HIS A  44
THR A  45
VAL A 114
VAL A 218
ASP A 222
 None
 0.58A 1td2B-5trwA:
44.0		 1td2B-5trwA:
54.92