SIMILAR PATTERNS OF AMINO ACIDS FOR 4IG5_B_MMZB617_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
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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 HIS A 443
ARG A 243
GLU A 388
LEU A 447
 None
 1.41A 4ig5B-1amoA:
undetectable		 4ig5B-1amoA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
LEU C 246
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.34A 4ig5B-1d7wA:
undetectable		 4ig5B-1d7wA:
38.17
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 HIS A 650
ARG A 596
GLU A 594
LEU A 726
 None
 1.32A 4ig5B-1e1cA:
undetectable		 4ig5B-1e1cA:
22.22
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.
1ggv DIENELACTONE
HYDROLASE

(Pseudomonas
putida) 		PF01738
(DLH) 		4 GLN A 193
HIS A 195
ARG A 223
LEU A 164
 None
 0.87A 4ig5B-1ggvA:
undetectable		 4ig5B-1ggvA:
15.51
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A  15
HIS A  16
ARG A  69
GLU A  12
 None
 1.18A 4ig5B-1kyiA:
0.0		 4ig5B-1kyiA:
21.67
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.
1ofh ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A  15
HIS A  16
ARG A  69
GLU A  12
 None
 1.25A 4ig5B-1ofhA:
0.0		 4ig5B-1ofhA:
18.18
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLN A 337
HIS A 338
GLU A 203
LEU A 334
 None
 1.35A 4ig5B-1ovmA:
0.0		 4ig5B-1ovmA:
24.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		5 GLN A  91
HIS A  95
ARG A 239
GLU A 242
LEU A 246
 HEM  A 605 (-3.4A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
HEM  A 605 ( 2.2A)
None
 0.37A 4ig5B-2gjmA:
60.0		 4ig5B-2gjmA:
95.54
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT
TOUB PROTEIN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS)
PF06234
(TmoB) 		4 GLN A 418
HIS A 427
GLU C  77
LEU A 425
 None
 1.33A 4ig5B-2incA:
0.0		 4ig5B-2incA:
20.74
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.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 HIS A 446
ARG A 246
GLU A 391
LEU A 450
 None
 1.48A 4ig5B-3qfsA:
undetectable		 4ig5B-3qfsA:
23.58
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.
4myd 2-SUCCINYL-6-HYDROXY
-2,4-CYCLOHEXADIENE-
1-CARBOXYLATE
SYNTHASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		4 GLN A 160
ARG A 236
GLU A 237
LEU A 156
 None
 0.91A 4ig5B-4mydA:
0.0		 4ig5B-4mydA:
19.57
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 GLN B  84
ARG B 308
GLU B 307
LEU B 320
 None
 1.38A 4ig5B-4ouaB:
0.0		 4ig5B-4ouaB:
22.62
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.
4pcq POSSIBLE
TRANSCRIPTIONAL
REGULATORY PROTEIN
(PROBABLY
LRP/ASNC-FAMILY)

(Mycobacterium
tuberculosis) 		PF01037
(AsnC_trans_reg)
PF13412
(HTH_24) 		4 GLN A  95
HIS A 138
GLU A 171
LEU A 168
 None
 1.48A 4ig5B-4pcqA:
undetectable		 4ig5B-4pcqA:
14.72
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 GLN A 566
HIS A 545
ARG A 565
LEU A 569
 None
 1.47A 4ig5B-5clwA:
undetectable		 4ig5B-5clwA:
20.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLN A 257
HIS A 261
ARG A 405
LEU A 412
 HEM  A 812 (-3.3A)
None
HEM  A 812 (-3.7A)
None
 0.31A 4ig5B-5mfaA:
54.5		 4ig5B-5mfaA:
49.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLN A 257
HIS A 261
GLU A 408
LEU A 412
 HEM  A 812 (-3.3A)
None
HEM  A 812 (-4.2A)
None
 0.97A 4ig5B-5mfaA:
54.5		 4ig5B-5mfaA:
49.64
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLN A 257
HIS A 261
ARG A 405
LEU A 412
 None
 0.40A 4ig5B-6azpA:
54.9		 4ig5B-6azpA:
11.90
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLN A 257
HIS A 261
GLU A 408
LEU A 412
 None
 0.99A 4ig5B-6azpA:
54.9		 4ig5B-6azpA:
11.90
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 GLN A  97
HIS A 101
ARG A 233
GLU A 236
LEU A 240
 HEM  A 604 (-3.4A)
None
HEM  A 604 (-3.1A)
HEM  A 604 (-2.2A)
None
 0.69A 4ig5B-6ercA:
39.7		 4ig5B-6ercA:
8.99