Receptor
PDB id Resolution Class Description Source Keywords
4E2X 1.4 Å EC: 2.1.1.- X-RAY STRUCTURE OF THE Y222F MUTANT OF TCAB9, A C-3'- METHYLTRANSFERASE, IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEIN MICROMONOSPORA CHALCEA KIJANOSE TETRONITROSE TETRADEOXY SUGAR SUGAR METHYLATIONTRANSFERASE
Ref.: PROBING THE CATALYTIC MECHANISM OF A C-3'-METHYLTRA INVOLVED IN THE BIOSYNTHESIS OF D-TETRONITROSE. PROTEIN SCI. V. 21 876 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:502;
A:503;
A:504;
A:505;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SAH A:506;
Valid;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
TYD A:507;
Valid;
none;
submit data
402.188 C10 H16 N2 O11 P2 CC1=C...
ZN A:501;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NDJ 1.5 Å EC: 2.1.1.- X-RAY STRUCTURE OF A C-3'-METHYLTRANSFERASE IN COMPLEX WITH ADENOSYL-L-HOMOCYSTEINE AND SUGAR PRODUCT MICROMONOSPORA CHALCEA S-ADENOSYL-L-HOMOCYSTEINE KIJANOSE TETRONITROSE TETRADEOXKETO SUGAR MICROMONOSPORA CHALCEA TCAB9 C-3-prime -METHYLTRANSSUGAR METHYLATION TRANSFERASE
Ref.: MOLECULAR ARCHITECTURE OF A C-3'-METHYLTRANSFERASE IN THE BIOSYNTHESIS OF D-TETRONITROSE. BIOCHEMISTRY V. 49 5891 2010
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 57 families.
1 4E33 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4E2W - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
3 4E2Z - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
4 4E30 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 4E2X - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 4E32 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 4E2Y - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 4E31 - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
9 3NDI - SAM C15 H22 N6 O5 S C[S@@+](CC....
10 3NDJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 50 families.
1 4E33 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4E2W - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
3 4E2Z - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
4 4E30 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 4E2X - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 4E32 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 4E2Y - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 4E31 - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
9 3NDI - SAM C15 H22 N6 O5 S C[S@@+](CC....
10 3NDJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
11 5T6B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 5T67 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5T64 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4RVD - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 4RVG - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 4RV9 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 4RVH - 3YN C16 H24 N2 O14 P2 C[C@@H]1C(....
5 4E33 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 4E2W - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
7 4E2Z - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
8 4E30 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 4E2X - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 4E32 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
11 4E2Y - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 4E31 - JHZ C17 H27 N3 O13 P2 C[C@@H]1C(....
13 3NDI - SAM C15 H22 N6 O5 S C[S@@+](CC....
14 3NDJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
15 5T6B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5T67 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 5T64 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 197
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 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
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 RAB 0.573333 0.84058
19 ADN 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 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
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 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Ligand no: 2; Ligand: TYD; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 TYD 1 1
2 TTP 0.884058 1
3 TMP 0.80597 0.985714
4 TLO 0.716049 0.945205
5 DAU 0.694118 0.932432
6 18T 0.682353 0.932432
7 TDX 0.682353 0.945205
8 3R2 0.682353 0.92
9 1JB 0.682353 0.932432
10 TRH 0.682353 0.932432
11 ATY 0.670886 0.945205
12 3YN 0.666667 0.932432
13 DWN 0.666667 0.907895
14 T3F 0.666667 0.907895
15 T3Q 0.666667 0.907895
16 TBD 0.662338 0.958904
17 0N2 0.659091 0.896104
18 T46 0.659091 0.932432
19 AZD 0.654321 0.907895
20 MMF 0.651685 0.907895
21 0FX 0.651685 0.907895
22 LLT 0.641791 0.873239
23 THM 0.641791 0.873239
24 QDM 0.637363 0.896104
25 AKM 0.630435 0.886076
26 FNF 0.630435 0.92
27 JHZ 0.630435 0.884615
28 1YF 0.630435 0.92
29 4TG 0.623656 0.92
30 DUD 0.61039 0.957143
31 0DN 0.6 0.833333
32 UFP 0.6 0.905405
33 DT DT DT DT DT 0.582418 0.945205
34 QUH 0.58 0.907895
35 FUH 0.58 0.907895
36 T5A 0.572816 0.841463
37 5HU 0.571429 0.971831
38 BRU 0.571429 0.905405
39 FDM 0.564103 0.918919
40 NYM 0.564103 0.958333
41 5IU 0.564103 0.905405
42 DT DT PST 0.56383 0.881579
43 T3P 0.56 0.943662
44 THP 0.556962 0.971429
45 ATM 0.542169 0.894737
46 D3T 0.542169 0.971831
47 DUT 0.542169 0.957143
48 TXS 0.538462 0.789474
49 YYY 0.536585 0.891892
50 T3S 0.525 0.789474
51 BVP 0.52381 0.944444
52 ABT 0.521739 0.884615
53 DT DT DT 0.511364 0.878378
54 D4D 0.506024 0.928571
55 7SG 0.504274 0.864198
56 TQP 0.504274 0.864198
57 T5K 0.5 0.853659
58 TPE 0.5 0.894737
59 DT ME6 DT 0.5 0.87013
60 T4K 0.5 0.853659
61 2DT 0.5 0.957747
62 4TA 0.486486 0.807229
63 DCP 0.477273 0.891892
64 8DD 0.473118 0.8125
65 AZZ 0.469136 0.779221
66 UMP 0.469136 0.942857
67 DU 0.469136 0.942857
68 8GD 0.467391 0.829268
69 WMJ 0.452632 0.761905
70 D4T 0.449438 0.928571
71 DUP 0.449438 0.930556
72 6U4 0.447917 0.848101
73 DDN 0.439024 0.942857
74 3DT 0.428571 0.835616
75 UC5 0.425287 0.943662
76 ID2 0.423077 0.8
77 DT MA7 DT 0.420635 0.797619
78 8DG 0.418367 0.829268
79 DUN 0.41573 0.930556
80 DUT MG 0.413043 0.864865
81 5GW 0.410526 0.878378
82 DC 0.406977 0.878378
83 DCM 0.406977 0.878378
84 DT DC 0.405405 0.833333
85 ADS THS THS THS 0.403361 0.767442
86 74W 0.4 0.732558
87 D4M 0.4 0.914286
88 74X 0.4 0.732558
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NDJ; Ligand: SAH; Similar sites found: 174
This union binding pocket(no: 1) in the query (biounit: 3ndj.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H81 NAP 0.01559 0.4073 1.28535
2 1F8G NAD 0.007387 0.42196 1.30208
3 5G3U FDA 0.002458 0.40493 1.44231
4 4DMG SAM 0.003609 0.46228 1.52672
5 3GXO SAH 0.006533 0.44101 1.62602
6 2HJR APR 0.01463 0.40592 1.82927
7 2EJU SAH 0.000397 0.49179 1.85185
8 5F8F SFG 0.0003729 0.50262 1.85676
9 1A5Z NAD 0.006071 0.42581 1.88088
10 4X8D AVI 0.04456 0.41244 1.92308
11 5VN0 FAD 0.003124 0.40323 1.92308
12 1X14 NAD 0.001039 0.47615 1.99501
13 1JQD SAH 0.00006063 0.48754 2.05479
14 1JQD HSM 0.0001611 0.48097 2.05479
15 1CER NAD 0.01118 0.40355 2.1148
16 3S1S SAH 0.01053 0.41228 2.16346
17 3TPV ADE 0.02321 0.40753 2.16346
18 5D4V SAH 0.00499 0.42965 2.23881
19 1BW9 NAD 0.001345 0.45529 2.24719
20 1C1X NAD 0.002189 0.43337 2.25352
21 2PFY PCA 0.04424 0.41865 2.32558
22 4KOA NDP 0.004055 0.44743 2.4024
23 1LTH NAD 0.01395 0.40429 2.50784
24 2BH9 NAP 0.03958 0.40193 2.64423
25 2GCG NDP 0.007424 0.40621 2.72727
26 5GWX SAM 0.001433 0.44111 2.8169
27 5GWX SAR 0.001433 0.44111 2.8169
28 5E8J SAH 0.0006133 0.49685 2.88462
29 2CBZ ATP 0.04838 0.41084 2.95359
30 5JE8 NAD 0.002615 0.43299 2.98013
31 3FZG SAM 0.0006971 0.48917 3
32 2Q28 ADP 0.01262 0.41717 3.01418
33 3W9F I3P 0.02218 0.41828 3.07692
34 3KLJ FAD 0.00161 0.42286 3.11688
35 2IZ1 ATR 0.0009786 0.51341 3.125
36 5JJR SAH 0.02561 0.40548 3.125
37 1A4R GNH 0.02465 0.4092 3.14136
38 1XDS SAM 0.002098 0.46984 3.20856
39 1QZZ SAM 0.003563 0.45821 3.20856
40 5AHO TLA 0.0002179 0.54403 3.27381
41 1Z82 G3P 0.03294 0.42352 3.28358
42 1Z82 G3H 0.03803 0.42001 3.28358
43 1V6A TRE 0.007205 0.46284 3.31325
44 1MUU NAD 0.003338 0.42846 3.36538
45 1O0S NAI 0.01263 0.40875 3.36538
46 5MGZ SAH 0.0002901 0.49374 3.38983
47 4NEC SAH 0.001795 0.46883 3.40909
48 1G60 SAM 0.01283 0.41684 3.46154
49 4OBW SAM 0.0007694 0.47812 3.50195
50 1P31 EPU 0.004396 0.44209 3.57895
51 1P3D UMA 0.008788 0.40797 3.57895
52 1M2K APR 0.009149 0.40483 3.61446
53 5GM1 SAH 0.00002928 0.52529 3.7037
54 3B1F NAD 0.01461 0.40857 3.7931
55 1JG3 ADN 0.0003997 0.49164 3.82979
56 3BGD SAH 0.0006406 0.46608 3.84615
57 3BGD PM6 0.0008149 0.44829 3.84615
58 2UYQ SAM 0.006053 0.46422 3.87097
59 1G6H ADP 0.0468 0.4197 3.89105
60 5X62 SAH 0.00001594 0.56413 3.94089
61 5JE0 SAH 0.0003283 0.45512 4.04858
62 5JE0 AZ8 0.0003283 0.45512 4.04858
63 1G55 SAH 0.006067 0.43207 4.08163
64 4RDH AMP 0.001324 0.47538 4.16667
65 4RDI ATP 0.002151 0.45688 4.16667
66 5MW4 5JU 0.002272 0.41481 4.19162
67 3VYW SAM 0.009421 0.4201 4.22078
68 2I7C AAT 0.005845 0.40142 4.24028
69 4V3I ASP LEU THR ARG PRO 0.04814 0.40888 4.28016
70 5SXS NIZ 0.04768 0.41377 4.32692
71 4D79 ATP 0.001807 0.46048 4.34783
72 1TE2 PGA 0.0213 0.43403 4.42478
73 5THY SAH 0.0001372 0.5043 4.44444
74 4AZT SAM 0.000004484 0.58438 4.56731
75 3DXY SAM 0.00001041 0.59348 4.58716
76 2RBK VN4 0.04701 0.41027 4.5977
77 1F3L SAH 0.0001587 0.49704 4.6729
78 1KYQ NAD 0.0008983 0.47921 4.74453
79 3A27 SAM 0.0002638 0.50023 4.77941
80 4URG C2E 0.04827 0.4127 4.79042
81 2F1K NAP 0.01071 0.40677 5.01792
82 3FPF TNA 0.001611 0.40935 5.03356
83 3FPF MTA 0.001611 0.40935 5.03356
84 2AF6 FAD 0.01396 0.45022 5.03876
85 1ZMD NAI 0.008299 0.41153 5.04808
86 2A5J GDP 0.02022 0.41992 5.2356
87 2VDV SAM 0.001672 0.47483 5.28455
88 4WOP CTP 0.02487 0.4033 5.33333
89 4A6D SAM 0.0007208 0.47529 5.38244
90 5KOK SAH 0.0002151 0.49979 5.52885
91 1LVL NAD 0.0024 0.44736 5.52885
92 5KOK S9T 0.00128 0.42421 5.52885
93 5X7Q GLC GLC GLC 0.02878 0.4113 5.52885
94 5KOK R9T 0.003503 0.40994 5.52885
95 2IVD FAD 0.002892 0.40652 5.52885
96 5LOG SAH 0.02432 0.40376 5.5794
97 5XVQ SAH 0.00259 0.43926 5.6338
98 5HJM MTA 0.003147 0.4454 5.68182
99 2OOR NAD 0.003806 0.43495 5.74713
100 4D3F NAP 0.01792 0.40455 5.80645
101 5FA5 MTA 0.0008344 0.4853 5.99455
102 1QAN SAH 0.0003913 0.47941 6.14754
103 2FKA BEF 0.04269 0.41578 6.20155
104 4TXI FAD 0.004087 0.40962 6.49038
105 2CVZ NDP 0.01022 0.4052 6.57439
106 2O07 MTA 0.003944 0.41997 6.57895
107 2O07 SPD 0.003302 0.41803 6.57895
108 4RL4 PPV 0.02664 0.43832 6.60377
109 1P77 ATR 0.007184 0.46048 6.61765
110 2DT5 NAD 0.006938 0.40741 6.63507
111 5XVK SAH 0.0006882 0.4647 6.69014
112 1J5P NAD 0.003923 0.42007 6.71937
113 4IF4 BEF 0.02544 0.43034 6.73077
114 5KVA SAM 0.002246 0.44527 6.83453
115 3U31 NAD 0.009421 0.4172 6.89655
116 5L95 AMP 0.001654 0.45846 7.16846
117 2P41 SAH 0.02387 0.40695 7.21311
118 1KPG SAH 0.00001573 0.54218 7.31707
119 3G2O SAM 0.00001492 0.55956 7.35786
120 5FTW SAH 0.0007671 0.47006 7.42188
121 3GJ8 GDP 0.04787 0.4038 7.6087
122 1XCL SAH 0.004912 0.40651 7.65957
123 1Y8Q ATP 0.0008604 0.45695 7.69231
124 4Q3F TLA 0.03318 0.42236 7.69231
125 5MQ6 NDP 0.01328 0.40779 7.69231
126 3GFB NAD 0.008427 0.40631 7.71429
127 3LST SAH 0.001554 0.47643 7.75862
128 3OU2 SAH 0.0001175 0.49054 7.79817
129 3WV8 ATP 0.001921 0.45541 7.79817
130 4K28 NAD 0.003454 0.42783 7.80669
131 3P7I P7I 0.03128 0.42479 8.09969
132 2YVJ NAI 0.007772 0.43029 8.25688
133 1U3R 338 0.03201 0.40362 8.29876
134 5LD5 NAD 0.01562 0.40466 8.37989
135 3QV1 NAD 0.008364 0.41139 8.53659
136 5FA8 SAM 0.0005361 0.4695 8.69565
137 3MQ2 SAH 0.005481 0.44107 8.7156
138 4PNE SAH 0.00004553 0.51681 8.9404
139 3A25 SAM 0.0002921 0.49813 8.9701
140 5ULP KB1 0.005417 0.42221 9.70149
141 1JQ3 AAT 0.001392 0.42528 9.7973
142 2GV8 FAD 0.004932 0.40211 9.85577
143 5OFW 9TW 0.01316 0.44597 9.86547
144 1VQW FAD 0.004554 0.40557 10.0962
145 4II2 ATP 0.0006627 0.47297 10.4294
146 2PXX SAH 0.0001718 0.50435 10.6977
147 5E1M PRO PRO LYS ARG ILE ALA 0.0002223 0.45286 10.7884
148 5E1M SAH 0.0002223 0.45286 10.7884
149 5MPT SAH 0.000317 0.49644 10.8696
150 2J5V RGP 0.04035 0.42035 11.1717
151 3GJ7 GDP 0.0492 0.40317 11.2245
152 5N53 8NB 0.002058 0.49272 11.2821
153 5JGL SAM 0.001318 0.47112 12.1107
154 3Q87 SAM 0.001919 0.44501 12.3529
155 1EZ4 NAD 0.005123 0.41784 13.8365
156 4AIA ADK 0.04153 0.40131 14.3617
157 3IWD M2T 0.01685 0.43702 14.5161
158 3PFG TLO 0.0003923 0.42855 14.8289
159 4R6W SAH 0.00001696 0.50209 15.1163
160 4R6W PC 0.0001056 0.41965 15.1163
161 2V7Q ADP 0.03844 0.41224 15.1515
162 1DL5 SAH 0.002008 0.43494 15.4574
163 2YX1 SFG 0.001417 0.47846 15.7738
164 2WPB ZZI 0.02516 0.4301 15.7895
165 3MB5 SAM 0.000178 0.49065 17.2549
166 1R18 SAH 0.002284 0.44494 17.6211
167 1VE3 SAM 0.0009563 0.47363 18.5022
168 3OF1 CMP 0.02549 0.42181 18.6992
169 5DX8 SFG 0.0004425 0.47318 19.7708
170 5DXA SFG 0.000456 0.4726 19.7708
171 5DX1 SFG 0.0005586 0.46163 19.7708
172 3P2E SAH 0.001265 0.46012 20.4444
173 1L1E SAH 0.000006529 0.56486 22.9965
174 4YMH SAH 0.01163 0.41588 30
Pocket No.: 2; Query (leader) PDB : 3NDJ; Ligand: JHZ; Similar sites found: 210
This union binding pocket(no: 2) in the query (biounit: 3ndj.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.02786 0.41949 None
2 2BOS GLA GAL GLC 0.03723 0.41143 None
3 2UVF AD0 0.02004 0.42739 1.20192
4 4PIO AVI 0.0008972 0.43257 1.23839
5 4PIO SAH 0.00101 0.42809 1.23839
6 5H81 NAP 0.01559 0.4073 1.28535
7 1F8G NAD 0.007387 0.42196 1.30208
8 1L7E NAI 0.007477 0.41612 1.30208
9 1X87 NAD 0.005681 0.42416 1.44231
10 5G3U FDA 0.002458 0.40493 1.44231
11 3OJO NAD 0.01774 0.40219 1.44231
12 4DMG SAM 0.003609 0.46228 1.52672
13 3GWZ SAH 0.002704 0.46427 1.62602
14 3GXO SAH 0.006533 0.44101 1.62602
15 1V59 NAD 0.0002991 0.51817 1.68269
16 3GMB FAD 0.004542 0.40346 1.68675
17 3VSE SAH 0.003172 0.46517 1.75879
18 2HJR APR 0.01463 0.40592 1.82927
19 2EJU SAH 0.000397 0.49179 1.85185
20 5F8F SFG 0.0003729 0.50262 1.85676
21 4X8D AVI 0.04456 0.41244 1.92308
22 5VN0 FAD 0.003124 0.40323 1.92308
23 4JK3 NAD 0.007737 0.4103 1.9305
24 1X14 NAD 0.001039 0.47615 1.99501
25 2AOT SAH 0.000002664 0.60883 2.05479
26 1JQD SAH 0.00006063 0.48754 2.05479
27 1JQD HSM 0.0001611 0.48097 2.05479
28 1CER NAD 0.01118 0.40355 2.1148
29 3S1S SAH 0.01053 0.41228 2.16346
30 3TPV ADE 0.02321 0.40753 2.16346
31 3S5W FAD 0.006757 0.4033 2.16346
32 5D4V SAH 0.00499 0.42965 2.23881
33 1BW9 NAD 0.001345 0.45529 2.24719
34 1C1X NAD 0.002189 0.43337 2.25352
35 2PFY PCA 0.04424 0.41865 2.32558
36 1NVT NAP 0.01381 0.40448 2.43902
37 2GCG NDP 0.007424 0.40621 2.72727
38 5GWX SAR 0.001433 0.44111 2.8169
39 5GWX SAM 0.001433 0.44111 2.8169
40 5E8J SAH 0.0006133 0.49685 2.88462
41 1DJN ADP 0.0129 0.40836 2.88462
42 2CBZ ATP 0.04838 0.41084 2.95359
43 5JE8 NAD 0.002615 0.43299 2.98013
44 3FZG SAM 0.0006971 0.48917 3
45 3W9F I3P 0.02218 0.41828 3.07692
46 3KLJ FAD 0.00161 0.42286 3.11688
47 4KRG SAH 0.00003003 0.55079 3.125
48 5JJR SAH 0.02561 0.40548 3.125
49 1A4R GNH 0.02465 0.4092 3.14136
50 1XDS SAM 0.002098 0.46984 3.20856
51 1QZZ SAM 0.003563 0.45821 3.20856
52 5AHO TLA 0.0002179 0.54403 3.27381
53 1Z82 G3P 0.03294 0.42352 3.28358
54 1Z82 G3H 0.03803 0.42001 3.28358
55 2HNK SAH 0.005008 0.4327 3.34728
56 1MV8 NAD 0.001451 0.44088 3.36538
57 1MUU NAD 0.003338 0.42846 3.36538
58 5MGZ SAH 0.0002901 0.49374 3.38983
59 4NEC SAH 0.001795 0.46883 3.40909
60 1G60 SAM 0.01283 0.41684 3.46154
61 4OBW SAM 0.0007694 0.47812 3.50195
62 4LWP SAH 0.0002747 0.49939 3.53261
63 1P31 EPU 0.004396 0.44209 3.57895
64 1P3D UMA 0.008788 0.40797 3.57895
65 1M2K APR 0.009149 0.40483 3.61446
66 3HVJ 705 0.003042 0.40365 3.61991
67 5GM1 SAH 0.00002928 0.52529 3.7037
68 2VT3 ATP 0.0000542 0.55648 3.72093
69 1JG3 ADN 0.0003997 0.49164 3.82979
70 1KYZ SAH 0.004809 0.44383 3.83562
71 3BGD SAH 0.0006406 0.46608 3.84615
72 3BGD PM6 0.0008149 0.44829 3.84615
73 2UYQ SAM 0.006053 0.46422 3.87097
74 1G6H ADP 0.0468 0.4197 3.89105
75 5X62 SAH 0.00001594 0.56413 3.94089
76 1Z0A GDP 0.03743 0.40621 4.02299
77 5JE0 AZ8 0.0003283 0.45512 4.04858
78 5JE0 SAH 0.0003283 0.45512 4.04858
79 1G55 SAH 0.006067 0.43207 4.08163
80 4BLW SAH 0.007473 0.41093 4.15225
81 4RDH AMP 0.001324 0.47538 4.16667
82 4RDI ATP 0.002151 0.45688 4.16667
83 5MW4 5JU 0.002272 0.41481 4.19162
84 3VYW SAM 0.009421 0.4201 4.22078
85 2I7C AAT 0.00155 0.42108 4.24028
86 3GCZ SAM 0.01469 0.41707 4.25532
87 4V3I ASP LEU THR ARG PRO 0.04814 0.40888 4.28016
88 5SXS NIZ 0.04768 0.41377 4.32692
89 4D79 ATP 0.001807 0.46048 4.34783
90 1TE2 PGA 0.0213 0.43403 4.42478
91 1I1N SAH 0.01195 0.40001 4.42478
92 5THY SAH 0.0001372 0.5043 4.44444
93 4AZT SAM 0.000004484 0.58438 4.56731
94 3DXY SAM 0.00001041 0.59348 4.58716
95 2RBK VN4 0.04701 0.41027 4.5977
96 1F3L SAH 0.0001587 0.49704 4.6729
97 1KYQ NAD 0.0008983 0.47921 4.74453
98 3A27 SAM 0.0002638 0.50023 4.77941
99 4URG C2E 0.04827 0.4127 4.79042
100 3ICT ADP 0.004514 0.45725 4.80769
101 3PT9 SAH 0.002207 0.45634 4.80769
102 3T7S SAM 0.0004995 0.48704 4.85075
103 2D2I NAP 0.01361 0.40732 5
104 2F1K NAP 0.01071 0.40677 5.01792
105 3FPF TNA 0.001611 0.40935 5.03356
106 3FPF MTA 0.001611 0.40935 5.03356
107 2AF6 FAD 0.01396 0.45022 5.03876
108 1ZMD NAI 0.008299 0.41153 5.04808
109 2A5J GDP 0.02022 0.41992 5.2356
110 2VDV SAM 0.001672 0.47483 5.28455
111 4WOP CTP 0.02487 0.4033 5.33333
112 5KOK SAH 0.0002151 0.49979 5.52885
113 5KOK S9T 0.00128 0.42421 5.52885
114 5X7Q GLC GLC GLC 0.02878 0.4113 5.52885
115 5KOK R9T 0.003503 0.40994 5.52885
116 2IVD FAD 0.002892 0.40652 5.52885
117 5LOG SAH 0.02432 0.40376 5.5794
118 5XVQ SAH 0.00259 0.43926 5.6338
119 5HJM MTA 0.003147 0.4454 5.68182
120 3LCV SAM 0.001417 0.45084 5.69395
121 1LSS NAD 0.00538 0.43128 5.71429
122 2ZIF SAM 0.00301 0.44631 5.72391
123 2OOR NAD 0.003806 0.43495 5.74713
124 4D3F NAP 0.01792 0.40455 5.80645
125 5FA5 MTA 0.0008344 0.4853 5.99455
126 1QAN SAH 0.0003913 0.47941 6.14754
127 2FKA BEF 0.04269 0.41578 6.20155
128 2BRY FAD 0.004799 0.4047 6.25
129 4TXI FAD 0.004087 0.40962 6.49038
130 2CVZ NDP 0.01022 0.4052 6.57439
131 2O07 MTA 0.003944 0.41997 6.57895
132 2O07 SPD 0.003302 0.41803 6.57895
133 4RL4 PPV 0.02664 0.43832 6.60377
134 1P77 ATR 0.007184 0.46048 6.61765
135 2DT5 NAD 0.006938 0.40741 6.63507
136 5XVK SAH 0.0006882 0.4647 6.69014
137 4IF4 BEF 0.02544 0.43034 6.73077
138 3GJ3 GDP 0.04581 0.40812 6.78733
139 5KVA SAM 0.002246 0.44527 6.83453
140 3U31 NAD 0.009421 0.4172 6.89655
141 5L95 AMP 0.001654 0.45846 7.16846
142 2P41 SAH 0.02387 0.40695 7.21311
143 1KPG SAH 0.00001573 0.54218 7.31707
144 1KPH SAH 0.00001869 0.53882 7.31707
145 3G2O SAM 0.00001492 0.55956 7.35786
146 5FTW SAH 0.0007671 0.47006 7.42188
147 3GJ8 GDP 0.04787 0.4038 7.6087
148 1XCL SAH 0.004912 0.40651 7.65957
149 1Y8Q ATP 0.0008604 0.45695 7.69231
150 5MQ6 NDP 0.01328 0.40779 7.69231
151 3GFB NAD 0.008427 0.40631 7.71429
152 3OU2 SAH 0.0001175 0.49054 7.79817
153 3WV8 ATP 0.001921 0.45541 7.79817
154 4K28 NAD 0.003454 0.42783 7.80669
155 3EVG SAH 0.01472 0.41703 8
156 2YVJ NAI 0.007772 0.43029 8.25688
157 1U3R 338 0.03201 0.40362 8.29876
158 5LD5 NAD 0.01562 0.40466 8.37989
159 2P0D I3P 0.02931 0.41529 8.52713
160 3QV1 NAD 0.008364 0.41139 8.53659
161 5FA8 SAM 0.0005361 0.4695 8.69565
162 3MQ2 SAH 0.005481 0.44107 8.7156
163 4PNE SAH 0.00004553 0.51681 8.9404
164 3A25 SAM 0.0002921 0.49813 8.9701
165 3HQP FDP 0.04126 0.40721 9.13461
166 2DPM SAM 0.01814 0.40431 9.15493
167 3IHG FAD 0.005634 0.4111 9.375
168 2XVM SAH 0.0002445 0.51703 9.54774
169 5ULP KB1 0.005417 0.42221 9.70149
170 1JQ3 AAT 0.001392 0.42528 9.7973
171 2GV8 FAD 0.004932 0.40211 9.85577
172 5OFW 9TW 0.01316 0.44597 9.86547
173 1VQW FAD 0.004554 0.40557 10.0962
174 1L3I SAH 0.00638 0.41642 10.4167
175 4II2 ATP 0.0006627 0.47297 10.4294
176 2RGO FAD 0.002896 0.40442 10.5769
177 2G5C NAD 0.008454 0.40625 10.6762
178 2PXX SAH 0.0001718 0.50435 10.6977
179 5E1M SAH 0.0002223 0.45286 10.7884
180 5E1M PRO PRO LYS ARG ILE ALA 0.0002223 0.45286 10.7884
181 5MPT SAH 0.000317 0.49644 10.8696
182 2J5V RGP 0.04035 0.42035 11.1717
183 1OMO NAD 0.006141 0.41984 11.1801
184 3GJ7 GDP 0.0492 0.40317 11.2245
185 5N53 8NB 0.002058 0.49272 11.2821
186 4KRI SAH 0.000003638 0.57649 11.2981
187 5JGL SAM 0.001318 0.47112 12.1107
188 3Q87 SAM 0.001919 0.44501 12.3529
189 2HK9 ATR 0.0036 0.46696 12.7273
190 2HK9 NAP 0.01431 0.40138 12.7273
191 1EZ4 NAD 0.005123 0.41784 13.8365
192 4AIA ADK 0.04153 0.40131 14.3617
193 3IWD M2T 0.01685 0.43702 14.5161
194 4R6W SAH 0.00001696 0.50209 15.1163
195 4R6W PC 0.0001056 0.41965 15.1163
196 2V7Q ADP 0.03844 0.41224 15.1515
197 1DL5 SAH 0.002008 0.43494 15.4574
198 3H2B SAH 0.000001341 0.60267 15.7635
199 2YX1 SFG 0.001417 0.47846 15.7738
200 2WPB ZZI 0.02516 0.4301 15.7895
201 1R18 SAH 0.002284 0.44494 17.6211
202 1VE3 SAM 0.0009563 0.47363 18.5022
203 3OF1 CMP 0.02549 0.42181 18.6992
204 5DX8 SFG 0.0004425 0.47318 19.7708
205 5DXA SFG 0.000456 0.4726 19.7708
206 5DX1 SFG 0.0005586 0.46163 19.7708
207 3P2E SAH 0.001265 0.46012 20.4444
208 1TPY SAH 0.00002001 0.53748 21.9512
209 1L1E SAH 0.000006529 0.56486 22.9965
210 4YMH SAH 0.01163 0.41588 30
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