SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP4_A_MIIA2001

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.
1gvl KALLIKREIN 6

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASN A 179
THR A 229
LEU A 212
ALA A  56
HIS A  91
 None
 1.34A 3kp4A-1gvlA:
undetectable
3kp4B-1gvlA:
undetectable		 3kp4A-1gvlA:
20.54
3kp4B-1gvlA:
20.54
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 ASN A 128
THR A 133
LEU A 135
ALA A 138
SER A 139
 None
 1.36A 3kp4A-2rfmA:
0.0
3kp4B-2rfmA:
0.0		 3kp4A-2rfmA:
24.49
3kp4B-2rfmA:
24.49
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.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASN H 179
THR H 229
LEU H 212
ALA H  56
HIS H  91
 None
 1.30A 3kp4A-3f6uH:
undetectable
3kp4B-3f6uH:
undetectable		 3kp4A-3f6uH:
20.25
3kp4B-3f6uH:
20.25
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 THR A 203
LEU A 100
ALA A  95
HIS A  93
ASN A 233
 None
 1.47A 3kp4A-4c30A:
0.1
3kp4B-4c30A:
2.3		 3kp4A-4c30A:
12.01
3kp4B-4c30A:
12.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eju TRANSCRIPTIONAL
REGULATOR TCAR

(Staphylococcus
epidermidis) 		PF12802
(MarR_2) 		8 ASN A  20
THR A  23
LEU A  27
GLN A  31
ALA A  38
SER A  41
HIS A  42
ARG A 110
 None
 0.32A 3kp4A-4ejuA:
19.9
3kp4B-4ejuA:
19.8		 3kp4A-4ejuA:
100.00
3kp4B-4ejuA:
100.00
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		5 ASN A 105
THR A 142
LEU A 161
HIS A 108
ASN A  76
 None
None
None
UNL  A 301 ( 3.8A)
None
 1.44A 3kp4A-4h08A:
undetectable
3kp4B-4h08A:
undetectable		 3kp4A-4h08A:
22.93
3kp4B-4h08A:
22.93
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 THR A 172
LEU A 169
ALA A 167
HIS A 164
ARG A 410
 None
 1.41A 3kp4A-4xeuA:
0.0
3kp4B-4xeuA:
0.0		 3kp4A-4xeuA:
13.18
3kp4B-4xeuA:
13.18
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.
5avm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 THR A  59
LEU A  91
GLN A  94
HIS A 243
ASN A 188
 None
 1.42A 3kp4A-5avmA:
undetectable
3kp4B-5avmA:
undetectable		 3kp4A-5avmA:
20.00
3kp4B-5avmA:
20.00
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 ASN A 151
THR A 154
LEU A 145
ALA A 143
ASN A 203
 NA  A 501 ( 3.2A)
None
None
None
None
 1.38A 3kp4A-5uldA:
0.0
3kp4B-5uldA:
0.0		 3kp4A-5uldA:
14.25
3kp4B-5uldA:
14.25