SIMILAR PATTERNS OF AMINO ACIDS FOR 5WHY_B_SAMB504_0

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
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.
1s7j PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF FAMILY

(Enterococcus
faecalis) 		PF02567
(PhzC-PhzF) 		5 PHE A 147
GLU A 139
THR A 178
VAL A 239
VAL A 244
 None
 1.39A 5whyB-1s7jA:
0.0		 5whyB-1s7jA:
20.70
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		5 TYR A  22
ARG A  76
THR A  74
VAL A  72
VAL A  71
 None
DKA  A 301 (-3.7A)
None
None
None
 1.48A 5whyB-1w66A:
0.2		 5whyB-1w66A:
19.46
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 TYR A 525
SER A 708
THR A 730
VAL A 728
VAL A 702
 None
 1.29A 5whyB-2fuqA:
0.0		 5whyB-2fuqA:
19.68
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 TYR A 431
GLU A 199
THR A 334
THR A 311
VAL A 307
 None
None
None
NAG  A 800 ( 4.6A)
NAG  A 800 (-4.4A)
 1.44A 5whyB-2gfiA:
0.2		 5whyB-2gfiA:
23.08
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 TYR A 145
GLU A  64
THR A  52
VAL A  21
VAL A 143
 None
 1.42A 5whyB-2yzhA:
0.6		 5whyB-2yzhA:
15.40
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.
3a9i HOMOCITRATE SYNTHASE

(Thermus
thermophilus) 		PF00682
(HMGL-like) 		5 PHE A  95
THR A  97
SER A 142
VAL A 179
VAL A 182
 None
 1.25A 5whyB-3a9iA:
3.4		 5whyB-3a9iA:
19.52
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 TYR A 116
PHE A 291
GLU A 336
THR A 121
VAL A 170
 None
 1.33A 5whyB-3s5kA:
0.0		 5whyB-3s5kA:
17.27
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.
3vzu OUTER MEMBRANE
PROTEIN

(Neisseria
meningitidis) 		PF00267
(Porin_1) 		5 TYR X 187
THR X  97
SER X 190
VAL X 222
VAL X 223
 None
 1.30A 5whyB-3vzuX:
undetectable		 5whyB-3vzuX:
21.69
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C)
PF08676
(MutL_C) 		5 PHE A 720
THR A 707
THR B 688
VAL A 542
VAL A 541
 None
 0.94A 5whyB-4e4wA:
0.0		 5whyB-4e4wA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		10 TYR A 110
PHE A 152
GLU A 155
THR A 186
SER A 210
ARG A 222
ARG A 253
THR A 255
VAL A 283
VAL A 284
 SAM  A 504 (-4.8A)
SAM  A 504 (-4.1A)
SAM  A 504 (-3.7A)
SAM  A 504 (-4.2A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
SAM  A 504 (-3.2A)
SAM  A 504 (-3.4A)
SAM  A 504 (-4.0A)
SAM  A 504 (-3.6A)
 0.42A 5whyB-5wggA:
54.9		 5whyB-5wggA:
100.00