-->
Receptor
PDB id Resolution Class Description Source Keywords
3EVC 1.6 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF GTP COMPLEX OF YELLOW FEVER VIRUS METHYLTRANSFERASE AND S-ADENOSYL-L-HOMOCYSTEINE YELLOW FEVER VIRUS YELLOW FEVER VIRUS NS5 METHYLTRANSFERASE RNA CAP BINDING BINDING CAPSID PROTEIN CLEAVAGE ON PAIR OF BASIC RESIDUESENDOPLASMIC RETICULUM ENVELOPE PROTEIN GLYCOPROTEIN HELIHYDROLASE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING NUCLEOTIDYLTRANSFERASE NUCLEUS PHOSPHPROTEASE RIBONUCLEOPROTEIN RNA REPLICATION RNA-BINDING DIRECTED RNA POLYMERASE SECRETED SERINE PROTEASE TRANSMEVIRAL NUCLEOPROTEIN VIRION TRANSFERASE
Ref.: ANALYSIS OF FLAVIVIRUS NS5 METHYLTRANSFERASE CAP BI J.MOL.BIOL. V. 385 1643 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTP A:902;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
SAH A:901;
Valid;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EVF 1.45 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF ME7-GPPPA COMPLEX OF YELLOW FEVER VIRUS METHYLTRANSFERASE AND S-ADENOSYL-L-HOMOCYSTEINE YELLOW FEVER VIRUS YELLOW FEVER VIRUS NS5 METHYLTRANSFERASE RNA CAP BINDING BINDING CAPSID PROTEIN CLEAVAGE ON PAIR OF BASIC RESIDUESENDOPLASMIC RETICULUM ENVELOPE PROTEIN GLYCOPROTEIN HELIHYDROLASE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING NUCLEOTIDYLTRANSFERASE NUCLEUS PHOSPHPROTEASE RIBONUCLEOPROTEIN RNA REPLICATION RNA-BINDING DIRECTED RNA POLYMERASE SECRETED SERINE PROTEASE TRANSMEVIRAL NUCLEOPROTEIN VIRION TRANSFERASE
Ref.: ANALYSIS OF FLAVIVIRUS NS5 METHYLTRANSFERASE CAP BI J.MOL.BIOL. V. 385 1643 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3EVA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3EVC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3EVF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3EVB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 3EVD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3EVA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3EVC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3EVF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3EVB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 3EVD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3ELU - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 3ELW - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 3EMD - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 3ELD - SFG C15 H23 N7 O5 c1nc(c2c(n....
11 3ELY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3EMB - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3EVA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3EVC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3EVF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3EVB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 3EVD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3ELU - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 3ELW - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 3EMD - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 3ELD - SFG C15 H23 N7 O5 c1nc(c2c(n....
11 3ELY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3EMB - SAM C15 H22 N6 O5 S C[S@@+](CC....
13 2P3L - G3A C20 H27 N10 O17 P3 c1nc(c2c(n....
14 2P41 - G1G C22 H32 N10 O18 P3 Cn1c[n+](c....
15 1L9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
17 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
19 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
20 5NJU - SAH C14 H20 N6 O5 S c1nc(c2c(n....
21 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
22 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
23 5NJV - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
25 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
26 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
27 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
28 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
29 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
30 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
31 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
32 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
33 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
34 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
35 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
36 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
37 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
38 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
39 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
40 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
41 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
42 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
43 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
44 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
45 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
46 3GCZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
47 2WA2 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
Ligand no: 2; Ligand: SAH; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 ADN 0.573333 0.84058
19 RAB 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SMM 0.536842 0.88
28 SSA 0.536842 0.712644
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 AAT 0.515789 0.863014
44 LSS 0.515152 0.696629
45 KAA 0.514852 0.727273
46 J7C 0.511364 0.835616
47 A5A 0.510417 0.697674
48 SON 0.505495 0.805195
49 SRP 0.505155 0.805195
50 F0P 0.504505 0.915493
51 54H 0.5 0.681818
52 VMS 0.5 0.681818
53 ADX 0.5 0.694118
54 CA0 0.5 0.769231
55 AMO 0.5 0.805195
56 5AL 0.5 0.779221
57 KH3 0.5 0.866667
58 NVA LMS 0.49505 0.707865
59 AHX 0.49505 0.753086
60 TSB 0.494949 0.689655
61 53H 0.494949 0.674157
62 G5A 0.494737 0.712644
63 ABM 0.494382 0.74359
64 A2D 0.494382 0.74359
65 ZAS 0.494253 0.808219
66 A6D 0.490196 0.759494
67 8QN 0.49 0.779221
68 GEK 0.49 0.956522
69 GAP 0.489583 0.769231
70 AN2 0.48913 0.734177
71 A3S 0.48913 0.884058
72 S4M 0.488889 0.831169
73 SRA 0.488636 0.746835
74 LAD 0.485437 0.810127
75 52H 0.484848 0.674157
76 A12 0.483516 0.759494
77 BA3 0.483516 0.74359
78 AP2 0.483516 0.759494
79 NEC 0.483146 0.788732
80 AOC 0.483146 0.842857
81 Y3J 0.481481 0.768116
82 VRT 0.479167 0.861111
83 50T 0.478723 0.734177
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 5AS 0.478261 0.655556
87 AP5 0.478261 0.74359
88 A3N 0.477778 0.830986
89 YSA 0.476636 0.712644
90 XAH 0.476636 0.768293
91 0XU 0.473684 0.897059
92 AT4 0.473118 0.7375
93 WAQ 0.471154 0.807692
94 NSS 0.470588 0.712644
95 5AD 0.468354 0.791045
96 AU1 0.468085 0.725
97 M33 0.468085 0.734177
98 MAO 0.467391 0.797468
99 TXA 0.466667 0.759494
100 NB8 0.466667 0.775
101 A3G 0.466667 0.871429
102 3AM 0.465909 0.727273
103 DAL AMP 0.465347 0.779221
104 8X1 0.465347 0.707865
105 A3T 0.463158 0.842857
106 ATP 0.463158 0.74359
107 HEJ 0.463158 0.74359
108 ACP 0.463158 0.746835
109 7D7 0.4625 0.785714
110 LEU LMS 0.461538 0.688889
111 9ZA 0.460784 0.740741
112 9ZD 0.460784 0.740741
113 5FA 0.458333 0.74359
114 AQP 0.458333 0.74359
115 AR6 0.458333 0.766234
116 APC 0.458333 0.759494
117 APR 0.458333 0.766234
118 PRX 0.458333 0.746835
119 F2R 0.457627 0.75
120 IOT 0.456897 0.761905
121 4AD 0.456311 0.794872
122 PAJ 0.456311 0.722892
123 WSA 0.45614 0.72093
124 YAP 0.453704 0.794872
125 8PZ 0.453704 0.712644
126 FA5 0.453704 0.805195
127 ADP PO3 0.453608 0.763158
128 ADV 0.453608 0.782051
129 NVA 2AD 0.453608 0.849315
130 SAP 0.453608 0.728395
131 AGS 0.453608 0.728395
132 RBY 0.453608 0.782051
133 AD9 0.453608 0.725
134 PTJ 0.45283 0.731707
135 MHZ 0.452632 0.797468
136 00A 0.451923 0.740741
137 A3P 0.451613 0.74026
138 YLP 0.451327 0.771084
139 7MD 0.45045 0.768293
140 ALF ADP 0.45 0.707317
141 ADP ALF 0.45 0.707317
142 2VA 0.447917 0.819444
143 OOB 0.446602 0.779221
144 ANP 0.444444 0.725
145 T99 0.444444 0.7375
146 ACQ 0.444444 0.746835
147 TAT 0.444444 0.7375
148 P5A 0.443396 0.719101
149 7D5 0.443182 0.708861
150 A1R 0.442308 0.7625
151 YLC 0.439655 0.790123
152 2AM 0.438202 0.717949
153 DLL 0.438095 0.779221
154 ARG AMP 0.4375 0.759036
155 A22 0.436893 0.734177
156 D3Y 0.436893 0.859155
157 ATF 0.435644 0.716049
158 MYR AMP 0.435185 0.746988
159 80F 0.434426 0.75
160 SO8 0.434343 0.808219
161 OAD 0.433962 0.769231
162 3UK 0.433962 0.769231
163 TAD 0.433628 0.765432
164 25A 0.432692 0.74359
165 6YZ 0.431373 0.746835
166 VO4 ADP 0.431373 0.734177
167 ADP VO4 0.431373 0.734177
168 9SN 0.431193 0.731707
169 TYM 0.431034 0.805195
170 B5V 0.429907 0.759494
171 PR8 0.429907 0.8
172 ADQ 0.428571 0.746835
173 YLB 0.42735 0.771084
174 9K8 0.425926 0.67033
175 1ZZ 0.425926 0.746988
176 FYA 0.425926 0.779221
177 3OD 0.425926 0.769231
178 PPS 0.425743 0.674419
179 MAP 0.423077 0.707317
180 A2P 0.421053 0.727273
181 4YB 0.421053 0.735632
182 9X8 0.420561 0.75
183 ADP BMA 0.420561 0.746835
184 TYR AMP 0.419643 0.794872
185 5SV 0.419048 0.731707
186 3NZ 0.416667 0.824324
187 YLA 0.416667 0.771084
188 8Q2 0.415254 0.688889
189 A3R 0.415094 0.7625
190 B5Y 0.414414 0.75
191 B5M 0.414414 0.75
192 48N 0.413793 0.753086
193 LPA AMP 0.413793 0.768293
194 AYB 0.413223 0.761905
195 ACK 0.413043 0.710526
196 QQY 0.413043 0.696203
197 BIS 0.412844 0.719512
198 JB6 0.412844 0.7625
199 PAP 0.41 0.730769
200 DQV 0.408696 0.75641
201 OVE 0.408602 0.7125
202 AMP DBH 0.40708 0.746835
203 4UV 0.40708 0.75
204 3AD 0.406977 0.852941
205 AF3 ADP 3PG 0.40678 0.743902
206 OMR 0.40678 0.738095
207 LAQ 0.405172 0.768293
208 A A 0.40367 0.74359
209 7C5 0.403509 0.789474
210 7MC 0.403361 0.75
211 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EVF; Ligand: SAH; Similar sites found with APoc: 308
This union binding pocket(no: 1) in the query (biounit: 3evf.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 5BTX CMP None
2 3AJM 4IP 0.938967
3 3MAG SAH 1.44404
4 3MCT SAH 1.44404
5 6CB2 OLC 1.44404
6 6BQ6 TER 1.44404
7 1KYQ NAD 1.45985
8 3C3Y SAH 1.68776
9 1I9G SAM 1.80505
10 6ECU SAH 1.80505
11 6ECW SAH 1.80505
12 2JK0 ASP 1.80505
13 5ZBR ANP 1.80505
14 1XDS SAM 2.13904
15 5KVA SAM 2.16606
16 2JHP SAH 2.16606
17 2AOT SAH 2.16606
18 5JGL SAM 2.16606
19 3A25 SAM 2.16606
20 1SQF SAM 2.16606
21 1JQD HSM 2.16606
22 1W5T ADP 2.16606
23 5N5D SAM 2.21239
24 3IIJ ADP 2.22222
25 5BW4 SAM 2.24719
26 1MAI I3P 2.29008
27 2ZFU SAH 2.32558
28 3Q72 GNP 2.40964
29 1QAN SAH 2.45902
30 3GU3 SAH 2.52708
31 2EG5 SAH 2.52708
32 1FP2 SAH 2.52708
33 5X62 SAH 2.52708
34 2DPM SAM 2.52708
35 5W7M SAH 2.52708
36 6C5B SAH 2.52708
37 1NV8 MEQ 2.52708
38 1NV8 SAM 2.52708
39 3QPB URA 2.52708
40 2ZWA SAH 2.52708
41 2YX1 SFG 2.52708
42 4C4A SAH 2.52708
43 4RDH AMP 2.52708
44 3FUU ADN 2.58303
45 3CBG SAH 2.58621
46 3I53 SAH 2.71084
47 5FTW SAH 2.73438
48 3WV8 ATP 2.75229
49 5JE0 SAH 2.83401
50 5JE0 AZ8 2.83401
51 5W7K SAH 2.88809
52 3QOX SAH 2.88809
53 3THR C2F 2.88809
54 4YAC NAI 2.88809
55 1G55 SAH 2.88809
56 1RJD SAM 2.88809
57 2O07 MTA 2.88809
58 3FSY SCA 2.88809
59 5MW4 5JU 2.88809
60 2O07 SPD 2.88809
61 5U19 SAH 2.88809
62 5U19 827 2.88809
63 5UFN SAH 2.94118
64 2CBZ ATP 2.95359
65 5MGZ SAH 2.9661
66 2W58 ADP 2.9703
67 3LCC SAH 2.97872
68 3T7S SAM 2.98507
69 5GVR LMR 2.99145
70 1P1C SAH 3.01508
71 5M58 SAH 3.04348
72 1UYY BGC BGC 3.05344
73 4IWN GEK 3.05677
74 1G60 SAM 3.07692
75 1I1N SAH 3.09735
76 3GD8 GOL 3.13901
77 2NXE SAM 3.14961
78 3FRH SAH 3.16206
79 3G89 SAM 3.21285
80 2UYQ SAM 3.22581
81 4UCI SAM 3.2491
82 2EFJ SAH 3.2491
83 4KRG SAH 3.2491
84 1QZZ SAM 3.2491
85 6D6Y SAH 3.2491
86 3X0D SAH 3.2491
87 4A6D SAM 3.2491
88 4PNE SAH 3.2491
89 5F8F SFG 3.2491
90 2WHX ADP 3.2491
91 3LCV SAM 3.2491
92 4IEE AGS 3.2491
93 4RZ3 ADP 3.2491
94 5MPT SAH 3.2491
95 3EGI ADP 3.39806
96 3RKR NAP 3.43511
97 5E8J SAH 3.61011
98 5E9W SAH 3.61011
99 5THY SAH 3.61011
100 1FP1 SAH 3.61011
101 4DMG SAM 3.61011
102 5THZ SAH 3.61011
103 4LWP SAH 3.61011
104 3DMH SAM 3.61011
105 1V59 NAD 3.61011
106 4BLW SAH 3.61011
107 3DMH GMP 3.61011
108 1WG8 SAM 3.61011
109 1Q0S SAH 3.61011
110 5ERG SAM 3.61011
111 4BLW AMP 3.61011
112 3P9C SAH 3.61011
113 2PXX SAH 3.72093
114 3A4M ADP 3.84615
115 5HJM MTA 3.97112
116 3BXO SAM 3.97112
117 3M6W SAM 3.97112
118 3VYW SAM 3.97112
119 3L9W AMP 3.97112
120 6B92 SAH 3.97112
121 6DUB SAH 4.05405
122 1IM8 SAI 4.09836
123 5E1M PRO PRO LYS ARG ILE ALA 4.14938
124 5E1M SAH 4.14938
125 4R6W SAH 4.26357
126 3MB5 SAM 4.31373
127 3O7W SAM 4.33213
128 3ZOK GLY 4.33213
129 1U2Z SAH 4.33213
130 5Z2F PDC 4.33213
131 2PT9 S4M 4.33213
132 5W7R SAH 4.33213
133 4X60 SFG 4.33213
134 4X60 3XV 4.33213
135 2I7C AAT 4.33213
136 5XNC MTA 4.33213
137 5K4G ASP 4.33213
138 2PT9 2MH 4.33213
139 1RZ1 NAD 4.34783
140 2ZFI ADP 4.37158
141 6GFK SAH 4.38247
142 5EEH SAH 4.52128
143 5EEH P9P 4.52128
144 2A14 SAH 4.56274
145 4YMH SAH 4.58333
146 3MQ2 SAH 4.58716
147 2AJH MET 4.59184
148 3JWH SAH 4.60829
149 1NW5 SAM 4.69314
150 2EJU SAH 4.69314
151 1ZGA SAH 4.69314
152 2AWN ADP 4.69314
153 1Z3C SA8 4.69314
154 1J78 OLA 4.69314
155 5CDH TLA 4.69314
156 1TZD ADP 4.72727
157 3A27 SAM 4.77941
158 5BSZ SAH 4.8
159 4F8L AES 4.82759
160 2VDV SAM 4.87805
161 4NEC SAH 4.92424
162 5E72 SAM 5.05415
163 4N49 SAM 5.05415
164 6C8R SAH 5.05415
165 4KRI SAH 5.05415
166 1KYZ SAH 5.05415
167 6ECT SAM 5.05415
168 1ZQ9 SAM 5.05415
169 4TVD BGC 5.05415
170 1QH8 HCA 5.05415
171 3SSO SAH 5.05415
172 6C8R EQV 5.05415
173 1KYZ FER 5.05415
174 4OBW SAM 5.05837
175 2BZG SAH 5.17241
176 1L3I SAH 5.20833
177 2CJW GDP 5.20833
178 1C3V PDC 5.30612
179 6FDF SAH 5.41516
180 5FUB SAH 5.41516
181 4DCM SAM 5.41516
182 3GWZ SAH 5.41516
183 3GXO SAH 5.41516
184 1N2X SAM 5.41516
185 1Y8Q ATP 5.41516
186 3PT9 SAH 5.41516
187 1JQ3 AAT 5.41516
188 2PK3 A2R 5.60748
189 4BQS ADP 5.68182
190 3VSE SAH 5.77617
191 3TLJ SAH 5.77617
192 1UAY ADN 5.78512
193 3FZG SAM 6
194 4II2 ATP 6.0241
195 2XVM SAH 6.03015
196 2ZIF SAM 6.13718
197 1YXM ADE 6.13718
198 1F3L SAH 6.13718
199 5XLX SAH 6.13718
200 4WES HCA 6.13718
201 1VE3 SAM 6.1674
202 5ZW3 SAH 6.22222
203 3P2E SAH 6.22222
204 5OVK NDP 6.25
205 1WY7 SAH 6.28019
206 1UZN NAP 6.47773
207 4KIB SAH 6.4982
208 5KOK SAH 6.4982
209 3VC1 SAH 6.4982
210 3VC1 GST 6.4982
211 3U31 NAD 6.4982
212 5KOK R9T 6.4982
213 5KOK S9T 6.4982
214 1LVL NAD 6.4982
215 2HNK SAH 6.69456
216 4ONQ SFG 6.85921
217 3LST SAH 6.85921
218 5GM1 SAH 6.85921
219 5YF1 SFG 6.85921
220 5YF1 8V0 6.85921
221 3U7Q HCA 6.85921
222 4M73 M72 6.85921
223 4M73 SAH 6.85921
224 3OFK SAH 6.94444
225 3G2O SAM 7.02341
226 5K7U SAM 7.11111
227 5DX8 SFG 7.22022
228 5DXA SFG 7.22022
229 5DX1 SFG 7.22022
230 5DX0 SFG 7.22022
231 5DWQ SFG 7.22022
232 1TPY SAH 7.22022
233 1WVG APR 7.22022
234 4YUW 4JU 7.22022
235 6ARJ BW4 7.22022
236 6ARJ SAH 7.22022
237 4YUW S4M 7.22022
238 4JLS 3ZE 7.23684
239 3OU2 SAH 7.33945
240 5FA8 SAM 7.45342
241 4POO SAM 7.5
242 5IL1 SAM 7.54717
243 3S1S SAH 7.58123
244 2FK8 SAM 7.58123
245 2HMT NAI 7.63889
246 1JG3 ADN 7.65957
247 5LOG SAH 7.72532
248 5DM1 SAH 7.86517
249 1MFI FHC 7.89474
250 4AZW SAM 7.94224
251 3BGD SAH 8.07692
252 3BGD PM6 8.07692
253 4QTU SAM 8.14815
254 2XYQ SAH 8.19672
255 5DNK SAH 8.30325
256 1L1E SAH 8.30325
257 3V0H I3P 8.30325
258 2JJQ SAH 8.66426
259 3TKY SAH 8.66426
260 1PJS NAD 8.66426
261 3DUW SAH 8.96861
262 5BQ5 ADP BEF 8.99471
263 6GKV SAH 9.02527
264 2HK9 ATR 9.38628
265 1KPH SAH 9.40767
266 1XTP SAI 9.44882
267 3HVJ 705 9.50226
268 5WP5 SAH 9.74729
269 1KPG SAH 9.74729
270 3H2B SAH 9.85222
271 4M37 SAH 10.1083
272 3UDG TMP 10.1083
273 4E70 N7I 10.1083
274 5WP4 SAH 10.4693
275 4LHD GLY 10.4693
276 3C6K SPD 10.4693
277 3C6K MTA 10.4693
278 5L95 AMP 11.25
279 1GOJ ADP 11.5523
280 3GDH SAH 11.6183
281 3DXY SAM 12.3853
282 5FWA J7C 12.6354
283 1RJW ETF 12.9964
284 3A4T SFG 12.9964
285 3TKA SAM 13.7184
286 1R18 SAH 14.0969
287 4FZV SAM 14.6444
288 1PVC ILE SER GLU VAL 14.7059
289 6F5Z SAH 14.7541
290 5TVI O8N 15.2174
291 4CS9 AMP 15.3439
292 3Q87 SAM 16
293 1DL5 SAH 16.2455
294 2P3V SRT 16.6065
295 4CQM NAP 16.9675
296 4U00 ADP 17.623
297 5VJN IR8 17.6471
298 2V7Q ADP 17.8082
299 1T57 FMN 18.4466
300 4Y9D NAI 19.1336
301 2PWY SAH 19.7674
302 2C9O ADP 20.9386
303 4GQB 0XU 22.7273
304 4M38 SAH 23.8095
305 5FA5 MTA 25
306 3K56 IS3 27.4436
307 1LSS NAD 34.2857
308 1EJ0 SAM 37.2222
Pocket No.: 2; Query (leader) PDB : 3EVF; Ligand: GTA; Similar sites found with APoc: 316
This union binding pocket(no: 2) in the query (biounit: 3evf.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4LPS GDP 1.23967
2 3MAG SAH 1.44404
3 3MCT SAH 1.44404
4 6CB2 OLC 1.44404
5 6BQ6 TER 1.44404
6 1JJV ATP 1.45631
7 1KYQ NAD 1.45985
8 3C3Y SAH 1.68776
9 1I9G SAM 1.80505
10 6ECW SAH 1.80505
11 6ECU SAH 1.80505
12 5ZBR ANP 1.80505
13 3PPQ CHT 1.92926
14 1XDS SAM 2.13904
15 1SQF SAM 2.16606
16 5KVA SAM 2.16606
17 2JHP SAH 2.16606
18 2AOT SAH 2.16606
19 5JGL SAM 2.16606
20 3A25 SAM 2.16606
21 2WK1 SAH 2.16606
22 1W5T ADP 2.16606
23 1JQD HSM 2.16606
24 5N5D SAM 2.21239
25 3IIJ ADP 2.22222
26 5BW4 SAM 2.24719
27 1Z0A GDP 2.29885
28 2ZFU SAH 2.32558
29 3Q72 GNP 2.40964
30 1QAN SAH 2.45902
31 2YX1 SFG 2.52708
32 3GU3 SAH 2.52708
33 2EG5 SAH 2.52708
34 4C4A SAH 2.52708
35 5X62 SAH 2.52708
36 1FP2 SAH 2.52708
37 2DPM SAM 2.52708
38 5W7M SAH 2.52708
39 6C5B SAH 2.52708
40 1NV8 MEQ 2.52708
41 1NV8 SAM 2.52708
42 5C9P FUC 2.52708
43 2ZWA SAH 2.52708
44 3QPB URA 2.52708
45 4RDH AMP 2.52708
46 3FUU ADN 2.58303
47 3CBG SAH 2.58621
48 3I53 SAH 2.71084
49 5FTW SAH 2.73438
50 3WV8 ATP 2.75229
51 5JE0 AZ8 2.83401
52 5JE0 SAH 2.83401
53 5W7K SAH 2.88809
54 3QOX SAH 2.88809
55 3THR C2F 2.88809
56 4YAC NAI 2.88809
57 1RJD SAM 2.88809
58 1G55 SAH 2.88809
59 5MW4 5JU 2.88809
60 2O07 SPD 2.88809
61 2O07 MTA 2.88809
62 5U19 SAH 2.88809
63 5U19 827 2.88809
64 5UFN SAH 2.94118
65 5MGZ SAH 2.9661
66 2W58 ADP 2.9703
67 3LCC SAH 2.97872
68 3T7S SAM 2.98507
69 5GVR LMR 2.99145
70 1P1C SAH 3.01508
71 5M58 SAH 3.04348
72 4IWN GEK 3.05677
73 3TBK ANP 3.06306
74 1G60 SAM 3.07692
75 1I1N SAH 3.09735
76 3GD8 GOL 3.13901
77 2NXE SAM 3.14961
78 3FRH SAH 3.16206
79 3G89 SAM 3.21285
80 2UYQ SAM 3.22581
81 4UCI SAM 3.2491
82 2EFJ SAH 3.2491
83 5MPT SAH 3.2491
84 4KRG SAH 3.2491
85 1QZZ SAM 3.2491
86 6D6Y SAH 3.2491
87 3X0D SAH 3.2491
88 4A6D SAM 3.2491
89 4PNE SAH 3.2491
90 5F8F SFG 3.2491
91 2WHX ADP 3.2491
92 3LCV SAM 3.2491
93 4IEE AGS 3.2491
94 5TSH ANP 3.2491
95 4LYA ATP 3.2491
96 3EGI ADP 3.39806
97 3RKR NAP 3.43511
98 5E8J SAH 3.61011
99 5E9W SAH 3.61011
100 5THY SAH 3.61011
101 1FP1 SAH 3.61011
102 4DMG SAM 3.61011
103 5THZ SAH 3.61011
104 4LWP SAH 3.61011
105 3DMH SAM 3.61011
106 1V59 NAD 3.61011
107 4BLW SAH 3.61011
108 3DMH GMP 3.61011
109 4BLW AMP 3.61011
110 1WG8 SAM 3.61011
111 1Q0S SAH 3.61011
112 5ERG SAM 3.61011
113 3P9C SAH 3.61011
114 2PXX SAH 3.72093
115 5HJM MTA 3.97112
116 3BXO SAM 3.97112
117 3M6W SAM 3.97112
118 3VYW SAM 3.97112
119 6B92 SAH 3.97112
120 3L9W AMP 3.97112
121 6DUB SAH 4.05405
122 1IM8 SAI 4.09836
123 5E1M SAH 4.14938
124 5E1M PRO PRO LYS ARG ILE ALA 4.14938
125 4R6W SAH 4.26357
126 3MB5 SAM 4.31373
127 3O7W SAM 4.33213
128 3ZOK GLY 4.33213
129 1U2Z SAH 4.33213
130 5Z2F PDC 4.33213
131 2PT9 S4M 4.33213
132 5W7R SAH 4.33213
133 4X60 SFG 4.33213
134 4X60 3XV 4.33213
135 5XNC MTA 4.33213
136 2PT9 2MH 4.33213
137 2I7C AAT 4.33213
138 2ZFI ADP 4.37158
139 6GFK SAH 4.38247
140 1S8F GDP 4.51977
141 5EEH SAH 4.52128
142 2A14 SAH 4.56274
143 4YMH SAH 4.58333
144 3MQ2 SAH 4.58716
145 3JWH SAH 4.60829
146 1NW5 SAM 4.69314
147 2EJU SAH 4.69314
148 1ZGA SAH 4.69314
149 1Z3C SA8 4.69314
150 1J78 OLA 4.69314
151 3KLL MAL 4.69314
152 2XCU C5P 4.69314
153 2AWN ADP 4.69314
154 5CDH TLA 4.69314
155 1TZD ADP 4.72727
156 3A27 SAM 4.77941
157 5BSZ SAH 4.8
158 2VDV SAM 4.87805
159 4NEC SAH 4.92424
160 5E72 SAM 5.05415
161 6C8R SAH 5.05415
162 4KRI SAH 5.05415
163 4N49 SAM 5.05415
164 1KYZ SAH 5.05415
165 6ECT SAM 5.05415
166 1ZQ9 SAM 5.05415
167 4TVD BGC 5.05415
168 1QH8 HCA 5.05415
169 4TQG NDP 5.05415
170 3SSO SAH 5.05415
171 5CK5 GDP 5.05415
172 6C8R EQV 5.05415
173 5YJI SAH 5.05415
174 1KYZ FER 5.05415
175 4OBW SAM 5.05837
176 2BZG SAH 5.17241
177 1L3I SAH 5.20833
178 2CJW GDP 5.20833
179 1C3V PDC 5.30612
180 6FDF SAH 5.41516
181 5FUB SAH 5.41516
182 4DCM SAM 5.41516
183 3GWZ SAH 5.41516
184 3GXO SAH 5.41516
185 1Y8Q ATP 5.41516
186 1N2X SAM 5.41516
187 1JQ3 AAT 5.41516
188 3PT9 SAH 5.41516
189 4EUE NAI 5.41516
190 1MR3 G3D 5.52486
191 2PK3 A2R 5.60748
192 4BQS ADP 5.68182
193 3VSE SAH 5.77617
194 3TLJ SAH 5.77617
195 1UAY ADN 5.78512
196 3Q85 GNP 5.91716
197 3FZG SAM 6
198 4II2 ATP 6.0241
199 2XVM SAH 6.03015
200 5O74 GDP 6.11111
201 2ZIF SAM 6.13718
202 1YXM ADE 6.13718
203 1F3L SAH 6.13718
204 5XLX SAH 6.13718
205 4WES HCA 6.13718
206 1VE3 SAM 6.1674
207 5ZW3 SAH 6.22222
208 3P2E SAH 6.22222
209 5OVK NDP 6.25
210 1WY7 SAH 6.28019
211 1UZN NAP 6.47773
212 4KIB SAH 6.4982
213 5KOK R9T 6.4982
214 5KOK S9T 6.4982
215 3U31 NAD 6.4982
216 4FCW ADP 6.4982
217 1LVL NAD 6.4982
218 3VC1 SAH 6.4982
219 3VC1 GST 6.4982
220 5KOK SAH 6.4982
221 2HNK SAH 6.69456
222 4ONQ SFG 6.85921
223 3LST SAH 6.85921
224 5YF1 SFG 6.85921
225 5GM1 SAH 6.85921
226 5YF1 8V0 6.85921
227 1XKV ATP 6.85921
228 3U7Q HCA 6.85921
229 4XFR CIT 6.85921
230 4M73 M72 6.85921
231 4M73 SAH 6.85921
232 3OFK SAH 6.94444
233 3G2O SAM 7.02341
234 5K7U SAM 7.11111
235 5DX8 SFG 7.22022
236 5DXA SFG 7.22022
237 5DX1 SFG 7.22022
238 5DX0 SFG 7.22022
239 5DWQ SFG 7.22022
240 1TPY SAH 7.22022
241 1WVG APR 7.22022
242 4YUW 4JU 7.22022
243 4YUW S4M 7.22022
244 4JLS 3ZE 7.23684
245 3OU2 SAH 7.33945
246 5FA8 SAM 7.45342
247 4POO SAM 7.5
248 5IL1 SAM 7.54717
249 3S1S SAH 7.58123
250 2FK8 SAM 7.58123
251 2NVK NAP 7.58123
252 2HMT NAI 7.63889
253 1JG3 ADN 7.65957
254 5LOG SAH 7.72532
255 1MFI FHC 7.89474
256 4AZW SAM 7.94224
257 3BGD SAH 8.07692
258 3BGD PM6 8.07692
259 4QTU SAM 8.14815
260 2XYQ SAH 8.19672
261 5DNK SAH 8.30325
262 1L1E SAH 8.30325
263 3V0H I3P 8.30325
264 2JJQ SAH 8.66426
265 3TKY SAH 8.66426
266 1PJS NAD 8.66426
267 3DUW SAH 8.96861
268 5BQ5 ADP BEF 8.99471
269 6GKV SAH 9.02527
270 2HK9 ATR 9.38628
271 5YJF SAH 9.38628
272 5YJF 8WO 9.38628
273 1KPH SAH 9.40767
274 1XTP SAI 9.44882
275 3HVJ 705 9.50226
276 5WP5 SAH 9.74729
277 1KPG SAH 9.74729
278 3H2B SAH 9.85222
279 4M37 SAH 10.1083
280 4E70 N7I 10.1083
281 3UDG TMP 10.1083
282 5WP4 SAH 10.4693
283 4LHD GLY 10.4693
284 3C6K SPD 10.4693
285 3C6K MTA 10.4693
286 5L95 AMP 11.25
287 1GOJ ADP 11.5523
288 3GDH SAH 11.6183
289 3DXY SAM 12.3853
290 5FWA J7C 12.6354
291 1RJW ETF 12.9964
292 3A4T SFG 12.9964
293 5YEC ATP 13.4454
294 3TKA SAM 13.7184
295 1R18 SAH 14.0969
296 4FZV SAM 14.6444
297 1PVC ILE SER GLU VAL 14.7059
298 6F5Z SAH 14.7541
299 5TVI O8N 15.2174
300 4CS9 AMP 15.3439
301 3Q87 SAM 16
302 1DL5 SAH 16.2455
303 2P3V SRT 16.6065
304 4CQM NAP 16.9675
305 5VJN IR8 17.6471
306 2V7Q ADP 17.8082
307 1T57 FMN 18.4466
308 4Y9D NAI 19.1336
309 2PWY SAH 19.7674
310 2C9O ADP 20.9386
311 4GQB 0XU 22.7273
312 4M38 SAH 23.8095
313 5FA5 MTA 25
314 3K56 IS3 27.4436
315 1LSS NAD 34.2857
316 1EJ0 SAM 37.2222
Pocket No.: 3; Query (leader) PDB : 3EVF; Ligand: GTA; Similar sites found with APoc: 24
This union binding pocket(no: 3) in the query (biounit: 3evf.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4J7U NAP 1.80505
2 4J7U YTZ 1.80505
3 3KDU NKS 2.52708
4 6B3A SAM 2.88809
5 2P4Y C03 3.2491
6 4PJT 2YQ 3.2491
7 4U8P UDP 3.2491
8 3FUR Z12 3.30882
9 4O08 PO6 3.61011
10 2BVN ENX 4.33213
11 3MTX PGT 4.63576
12 3NOJ PYR 5.77617
13 4A6F SEP 5.83333
14 6GMN F4E 6.73077
15 6ARJ SAH 7.22022
16 6ES0 BW8 7.22022
17 5KJK 6T1 7.94224
18 5KJK SAM 7.94224
19 3B82 NAD 8.30325
20 4CBU ATP 8.66142
21 3L9R L9Q 8.66426
22 3QLM PLM 12.0968
23 5WL1 CUY 14.1414
24 5WL1 D3D 14.1414
APoc FAQ
Feedback