SIMILAR PATTERNS OF AMINO ACIDS FOR 5ZGB_B_PQNB844_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.
1n4d VITAMIN B12
TRANSPORT PROTEIN
BTUF

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 ILE A 230
ARG A  98
ALA A 114
LEU A  97
ALA A  96
 None
 1.47A 5zgbB-1n4dA:
undetectable		 5zgbB-1n4dA:
14.71
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.
1qv9 F420-DEPENDENT
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE

(Methanopyrus
kandleri) 		PF01993
(MTD) 		5 ILE A   7
MET A 109
ALA A  83
LEU A  87
ALA A  88
 None
 1.21A 5zgbB-1qv9A:
2.9		 5zgbB-1qv9A:
13.95
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.
1wxd SHIKIMATE
5-DEHYDROGENASE

(Thermus
thermophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ILE A  81
ARG A 151
ALA A 124
LEU A 155
ALA A 154
 None
SO4  A1403 (-3.8A)
None
None
None
 1.07A 5zgbB-1wxdA:
0.0		 5zgbB-1wxdA:
15.18
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF01156
(IU_nuc_hydro) 		5 ILE A 110
ARG A 183
ALA A 132
LEU A 135
ALA A 187
 None
 1.29A 5zgbB-2c40A:
undetectable		 5zgbB-2c40A:
13.74
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 ILE A 241
MET A 151
ALA A 213
LEU A 212
ALA A 167
 None
 1.21A 5zgbB-2gupA:
undetectable		 5zgbB-2gupA:
15.33
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		5 ILE A 339
ARG A 306
ALA A 304
LEU A 305
ALA A 408
 None
 1.08A 5zgbB-3hn8A:
undetectable		 5zgbB-3hn8A:
12.73
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.
3st1 NECROSIS-AND
ETHYLENE-INDUCING
PROTEIN

(Moniliophthora
perniciosa) 		PF05630
(NPP1) 		5 ILE A  48
ARG A 146
ALA A 175
LEU A 176
ALA A 139
 None
 1.15A 5zgbB-3st1A:
undetectable		 5zgbB-3st1A:
18.88
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.
4hl7 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF04095
(NAPRTase) 		5 ILE A  30
TRP A 125
MET A 396
LEU A 377
ALA A 378
 None
 1.47A 5zgbB-4hl7A:
0.0		 5zgbB-4hl7A:
11.44
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.
4ix1 HYPOTHETICAL PROTEIN

(Rhodococcus
opacus) 		no annotation 5 ILE A  78
MET A 214
TRP A 252
ALA A  34
LEU A  30
 None
 1.33A 5zgbB-4ix1A:
undetectable		 5zgbB-4ix1A:
11.49
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ILE A 396
ARG A 404
ALA A 141
LEU A 405
ALA A 407
 None
 1.32A 5zgbB-4nmeA:
1.6		 5zgbB-4nmeA:
6.37
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 ILE A  54
TRP A  55
MET A 691
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1101 ( 3.9A)
CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 1.13A 5zgbB-4rkuA:
39.3		 5zgbB-4rkuA:
6.70
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 ILE B  21
TRP B  22
MET B 662
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.13A 5zgbB-4rkuB:
44.1		 5zgbB-4rkuB:
9.29
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 ILE B  21
TRP B  22
MET B 662
TRP B 667
ARG B 668
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
None
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.57A 5zgbB-4rkuB:
44.1		 5zgbB-4rkuB:
9.29
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 203
TRP A 349
ALA A 210
LEU A 278
ALA A 302
 None
 1.44A 5zgbB-5ahkA:
undetectable		 5zgbB-5ahkA:
9.53
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.
5h53 SKELETAL MUSCLE
MYOSIN HEAVY CHAIN
MYHC-EO/IIL

(Oryctolagus
cuniculus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE A 115
ARG A  18
ALA A  14
LEU A  17
ALA A 151
 None
 1.49A 5zgbB-5h53A:
undetectable		 5zgbB-5h53A:
7.43
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		5 ILE A 723
ARG A 688
ALA A 692
LEU A 691
ALA A 687
 None
 1.25A 5zgbB-5irmA:
undetectable		 5zgbB-5irmA:
6.06
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.
5l1t PENTALENOLACTONE
SYNTHASE

(Streptomyces
arenae) 		PF00067
(p450) 		5 ILE A 294
MET A  21
ARG A  32
ALA A  40
ALA A  31
 None
 1.12A 5zgbB-5l1tA:
1.3		 5zgbB-5l1tA:
10.47
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN
TYPE VI SECRETION
PROTEIN, FAMILY

(Pseudomonas
aeruginosa) 		no annotation 5 ILE B  67
ARG A 126
ALA A 130
LEU A 129
ALA A 125
 None
 1.08A 5zgbB-5n8nB:
undetectable		 5zgbB-5n8nB:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 7 ILE 1  48
TRP 1  49
MET 1 684
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
 None
CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 1.16A 5zgbB-5oy01:
37.4		 5zgbB-5oy01:
36.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 8 ILE b  21
TRP b  22
MET b 659
TRP b 664
ARG b 665
ALA b 696
LEU b 697
ALA b 702
 None
CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
None
None
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 0.57A 5zgbB-5oy0b:
42.3		 5zgbB-5oy0b:
89.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 ILE b  21
TRP b  22
MET b 659
TRP b 668
ALA b 696
LEU b 697
ALA b 702
 None
CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 1.18A 5zgbB-5oy0b:
42.3		 5zgbB-5oy0b:
89.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE b  25
MET b 659
TRP b 664
LEU b 697
ALA b 702
 LMG  b1851 ( 4.9A)
CLA  b1807 ( 3.2A)
None
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 1.43A 5zgbB-5oy0b:
42.3		 5zgbB-5oy0b:
89.74
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.
6f9g METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
MCPU

(Pseudomonas
putida) 		no annotation 5 ILE A 117
ARG A 107
ALA A 111
LEU A 110
ALA A 106
 None
 1.29A 5zgbB-6f9gA:
undetectable		 5zgbB-6f9gA:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 ILE A  45
TRP A  46
MET A 681
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 CLA  A1101 ( 4.3A)
None
PQN  A2001 ( 3.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 1.41A 5zgbB-6fosA:
34.9		 5zgbB-6fosA:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 ILE B  21
TRP B  22
MET B 660
ARG B 666
ALA B 697
LEU B 698
ALA B 703
 None
None
PQN  B2002 ( 3.2A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.79A 5zgbB-6fosB:
31.7		 5zgbB-6fosB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 ILE B  21
TRP B  22
MET B 660
TRP B 669
ALA B 697
LEU B 698
ALA B 703
 None
None
PQN  B2002 ( 3.2A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 1.19A 5zgbB-6fosB:
31.7		 5zgbB-6fosB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 ILE B  21
TRP B  22
TRP B 665
ARG B 666
ALA B 697
LEU B 698
ALA B 703
 None
None
None
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 1.09A 5zgbB-6fosB:
31.7		 5zgbB-6fosB:
100.00