Receptor
PDB id Resolution Class Description Source Keywords
5T67 1.6 Å EC: 2.-.-.- X-RAY STRUCTURE OF THE KIJD1 C3-METHYLTRANSFERASE FROM ACTIN KIJANIATA IN COMPLEX WITH SAH AND DTDP-SUGAR PRODUCT ACTINOMADURA KIJANIATA C3-METHYLTRANSFERASE ANTITUMOR ANTIBIOTIC KIJANIMICIN TR
Ref.: STRUCTURAL STUDIES ON KIJD1, A SUGAR C-3'-METHYLTRA PROTEIN SCI. V. 25 2282 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:505;
B:504;
A:504;
A:506;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
CL A:509;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MG A:507;
A:508;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
SAH B:502;
A:502;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
JHZ B:503;
A:503;
Valid;
Valid;
none;
none;
submit data
543.356 C17 H27 N3 O13 P2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T67 1.6 Å EC: 2.-.-.- X-RAY STRUCTURE OF THE KIJD1 C3-METHYLTRANSFERASE FROM ACTIN KIJANIATA IN COMPLEX WITH SAH AND DTDP-SUGAR PRODUCT ACTINOMADURA KIJANIATA C3-METHYLTRANSFERASE ANTITUMOR ANTIBIOTIC KIJANIMICIN TR
Ref.: STRUCTURAL STUDIES ON KIJD1, A SUGAR C-3'-METHYLTRA PROTEIN SCI. V. 25 2282 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5T6B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5T67 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5T64 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
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: JHZ; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 JHZ 1 1
2 AKM 0.74 0.974684
3 DWN 0.72449 0.974026
4 3YN 0.707071 0.948052
5 0N2 0.666667 0.961538
6 TTP 0.638298 0.884615
7 18T 0.637255 0.923077
8 3R2 0.637255 0.935897
9 TRH 0.637255 0.923077
10 1JB 0.637255 0.923077
11 T46 0.634615 0.923077
12 DAU 0.631068 0.898734
13 TYD 0.630435 0.884615
14 T3Q 0.625 0.948718
15 T3F 0.625 0.948718
16 0FX 0.613208 0.948718
17 TDX 0.605769 0.910256
18 MMF 0.598131 0.924051
19 QDM 0.587156 0.9125
20 TLO 0.582524 0.886076
21 FNF 0.581818 0.935897
22 1YF 0.581818 0.935897
23 4TG 0.576577 0.935897
24 TMP 0.576087 0.871795
25 FUH 0.542373 0.948718
26 QUH 0.542373 0.948718
27 TBD 0.490196 0.851852
28 T5A 0.488 0.837209
29 DT DT PST 0.486957 0.851852
30 TQP 0.481481 0.858824
31 7SG 0.481481 0.858824
32 DT DT DT DT DT 0.473684 0.886076
33 T5K 0.467153 0.848837
34 T4K 0.467153 0.848837
35 ATY 0.457944 0.910256
36 LLT 0.456522 0.794872
37 THM 0.456522 0.794872
38 AZD 0.449541 0.831325
39 0DN 0.446809 0.759494
40 UFP 0.44 0.804878
41 TPE 0.435897 0.911392
42 NYM 0.431373 0.897436
43 DT ME6 DT 0.429688 0.841463
44 THP 0.427184 0.858974
45 T3P 0.424242 0.835443
46 5HU 0.421569 0.860759
47 BRU 0.421569 0.804878
48 4TA 0.421053 0.804598
49 ATM 0.420561 0.819277
50 FDM 0.417476 0.817073
51 5IU 0.417476 0.804878
52 ABT 0.413793 0.811765
53 TXS 0.411765 0.743902
54 DUT 0.407407 0.846154
55 D3T 0.407407 0.860759
56 T3S 0.403846 0.765432
57 DT DT DT 0.401786 0.848101
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T67; Ligand: SAH; Similar sites found: 216
This union binding pocket(no: 1) in the query (biounit: 5t67.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.04344 0.41624 None
2 2BOS GLA GAL GLC 0.04454 0.40231 None
3 1O68 KIV 0.02925 0.42144 1.09091
4 1F8G NAD 0.0156 0.40208 1.30208
5 3ITJ CIT 0.01275 0.43744 1.47929
6 1X14 NAD 0.001207 0.4669 1.49626
7 4DMG SAM 0.002634 0.46354 1.52672
8 4V3I ASP LEU THR ARG PRO 0.04986 0.40433 1.55642
9 1GET NAP 0.005882 0.40157 1.68269
10 1GET FAD 0.005437 0.40157 1.68269
11 3U31 NAD 0.0162 0.40136 1.72414
12 3GCZ SAM 0.01641 0.40957 1.77305
13 3EVG SAH 0.01673 0.40918 1.81818
14 3KLJ FAD 0.002757 0.40813 1.81818
15 3A4T SFG 0.002053 0.44112 1.82482
16 3TLJ SAH 0.008714 0.41333 1.87668
17 3S1S SAH 0.009366 0.40915 1.92308
18 1N2X SAM 0.001854 0.43975 1.99336
19 3GFB NAD 0.006007 0.40687 2
20 3VSE SAH 0.003385 0.45799 2.01005
21 2DFV NAD 0.00605 0.40675 2.01729
22 3O7W SAM 0.0004625 0.49664 2.04082
23 4M73 SAH 0.0005906 0.42547 2.07715
24 4M73 M72 0.001687 0.40693 2.07715
25 2AWN ADP 0.03834 0.41197 2.09974
26 1DJN ADP 0.008879 0.41016 2.16346
27 5E8J SAH 0.0004631 0.49661 2.24359
28 5DLY SAH 0.0006559 0.42142 2.25564
29 5DLY 5D7 0.0009447 0.41134 2.25564
30 2RBK VN4 0.03437 0.4157 2.29885
31 1MV8 NAD 0.002716 0.42363 2.40385
32 1MUU NAD 0.005601 0.41329 2.40385
33 4BLW SAH 0.008965 0.40221 2.42215
34 5XVK SAH 0.0008848 0.4537 2.46479
35 2HK9 ATR 0.003984 0.45896 2.54545
36 1KYQ NAD 0.0003757 0.4911 2.55474
37 3OJO NAD 0.00991 0.40808 2.64423
38 5MQ6 NDP 0.01251 0.40366 2.64423
39 4DCM SAM 0.005269 0.44008 2.66667
40 2OOR NAD 0.01197 0.4072 2.87356
41 1WY7 SAH 0.01244 0.40646 2.89855
42 2CBZ ATP 0.03631 0.41194 2.95359
43 3GRU AMP 0.00004617 0.50935 3.05085
44 3W9F I3P 0.02261 0.40719 3.07692
45 3I7S PYR 0.03679 0.40969 3.08219
46 1P31 EPU 0.005846 0.43065 3.125
47 1NW5 SAM 0.0141 0.40967 3.1348
48 3WV8 ATP 0.001128 0.46012 3.21101
49 1Z82 G3P 0.04798 0.40948 3.28358
50 1Z82 G3H 0.04841 0.40926 3.28358
51 3I53 SAH 0.001325 0.45315 3.31325
52 4K28 NAD 0.004357 0.41787 3.34572
53 5H81 NAP 0.01361 0.40472 3.36538
54 2WPF FAD 0.01203 0.40086 3.36538
55 1WDK NAD 0.01484 0.40043 3.36538
56 4PIO AVI 0.001846 0.41465 3.40557
57 4PIO SAH 0.002126 0.41002 3.40557
58 3DMH SAM 0.0009716 0.45921 3.41207
59 3DMH GMP 0.004841 0.41068 3.41207
60 4UCC ZKW 0.0488 0.40642 3.43348
61 1EZ4 NAD 0.006603 0.4077 3.45912
62 4RDH AMP 0.001021 0.47483 3.47222
63 4RDI ATP 0.001789 0.45474 3.47222
64 5TVM PUT 0.04328 0.4082 3.52941
65 1KYZ SAH 0.004042 0.44184 3.56164
66 2F1K NAP 0.006113 0.4117 3.58423
67 4C4A SAH 0.0000233 0.53741 3.60577
68 3DXY SAM 0.000004091 0.6064 3.66972
69 3A27 SAM 0.0002879 0.49185 3.67647
70 5D4V SAH 0.005573 0.42193 3.73134
71 3GDH SAH 0.002772 0.42908 3.73444
72 1W3T 3GR 0.0348 0.41128 3.7415
73 4RL4 PPV 0.01544 0.44645 3.77358
74 3ICS ADP 0.002885 0.46153 3.84615
75 3ICT ADP 0.003149 0.45959 3.84615
76 3PT9 SAH 0.002341 0.44927 3.84615
77 1X87 NAD 0.003853 0.42594 3.84615
78 5MPT SAH 0.000448 0.48287 3.86473
79 1NV8 SAM 0.0008833 0.43767 3.87324
80 1NV8 MEQ 0.003257 0.41767 3.87324
81 5THY SAH 0.0001525 0.49541 3.95062
82 4D79 ATP 0.001372 0.46014 3.98551
83 2ZIF SAM 0.002268 0.44619 4.0404
84 1G55 SAH 0.004302 0.43342 4.08163
85 1OBB NAD 0.01117 0.4032 4.08654
86 2VT3 ATP 0.00009236 0.53757 4.18605
87 5MW4 5JU 0.001939 0.41149 4.19162
88 2QES ADE 0.03812 0.41076 4.21456
89 3EGI ADP 0.0001833 0.54209 4.36893
90 2UYQ SAM 0.003288 0.47613 4.51613
91 3VYW SAM 0.00702 0.4205 4.54545
92 1ZQ9 SAM 0.0007935 0.47126 4.5614
93 2WPB ZZI 0.03619 0.41631 4.56731
94 5X7Q GLC GLC GLC 0.03382 0.40933 4.56731
95 5X7Q GLC GLC GLC GLC 0.03058 0.40389 4.56731
96 2EG5 SAH 0.000254 0.50959 4.56989
97 2DPM SAM 0.01182 0.40744 4.57746
98 2P41 SAH 0.02562 0.40043 4.59016
99 2I7C AAT 0.001909 0.41174 4.59364
100 1G60 SAM 0.01007 0.41642 4.61538
101 2FK8 SAM 0.000009581 0.5495 4.71698
102 2JJQ SAH 0.01895 0.41622 4.80769
103 1QAN SAH 0.0003175 0.47696 4.91803
104 2O07 MTA 0.003312 0.41738 4.93421
105 2O07 SPD 0.003806 0.40987 4.93421
106 2A14 SAH 0.001242 0.45077 4.94297
107 3FZG SAM 0.0003604 0.49686 5
108 2D2I NAP 0.01407 0.40143 5
109 1ZMD NAI 0.01066 0.40406 5.04808
110 1JG3 ADN 0.0004127 0.48454 5.10638
111 1L5Y BEF 0.02255 0.4234 5.16129
112 2BZG SAH 0.000355 0.4876 5.17241
113 1Y8Q ATP 0.000966 0.44862 5.20231
114 2DT5 NAD 0.007018 0.40174 5.21327
115 3G89 SAM 0.00002229 0.56216 5.22088
116 3A25 SAM 0.0005104 0.48023 5.31561
117 3FPF MTA 0.001722 0.40239 5.36913
118 3FPF TNA 0.001722 0.40239 5.36913
119 4RM0 FUC NAG GAL 0.04607 0.40073 5.37975
120 3BGD SAH 0.0004932 0.46471 5.38462
121 3BGD PM6 0.001191 0.4354 5.38462
122 5HJM MTA 0.003147 0.43966 5.39773
123 2YVJ NAI 0.002484 0.44806 5.50459
124 2ZWA SAH 0.0009182 0.45658 5.52885
125 3FUU ADN 0.00004092 0.52619 5.53506
126 1L1E SAH 0.000007397 0.55456 5.57491
127 1XDS SAM 0.001546 0.47055 5.61497
128 1QZZ SAM 0.002442 0.46067 5.61497
129 2G5C NAD 0.007974 0.40187 5.69395
130 1LSS NAD 0.001227 0.45465 5.71429
131 5H06 MAL 0.03155 0.42691 5.76923
132 1VQW FAD 0.004211 0.40122 5.76923
133 1RL4 BL5 0.04584 0.40886 5.85106
134 4POO SAM 0.008926 0.40737 6
135 2XVM SAH 0.0002653 0.50865 6.03015
136 3QV1 NAD 0.007645 0.40761 6.09756
137 4TXI FAD 0.003042 0.40884 6.25
138 2BRY FAD 0.003948 0.40228 6.25
139 2EJU SAH 0.000355 0.4876 6.34921
140 4IWN GEK 0.00001796 0.52715 6.55022
141 3W6X HZP 0.03197 0.42224 6.55022
142 1P77 ATR 0.005449 0.46158 6.61765
143 5E1M PRO PRO LYS ARG ILE ALA 0.001095 0.42066 6.639
144 5E1M SAH 0.001095 0.42066 6.639
145 3GU3 SAH 0.00006929 0.55055 6.69014
146 4ONQ SFG 0.001584 0.45722 6.72269
147 1PL6 NAD 0.01615 0.40412 6.74157
148 5MGZ SAH 0.0003578 0.48299 6.77966
149 2FKA BEF 0.01709 0.42839 6.97674
150 1P1C SAH 0.00142 0.44478 7.03518
151 3VC1 GST 0.0002643 0.42789 7.05128
152 3VC1 SAH 0.0002643 0.42789 7.05128
153 5OFW 9TW 0.005377 0.46638 7.17489
154 3G2O SAM 0.00001666 0.54974 7.35786
155 5DM1 SAH 0.0005448 0.42187 7.49064
156 5DM1 5D7 0.0006471 0.41698 7.49064
157 1BW9 NAD 0.001335 0.44939 7.58427
158 1C1X NAD 0.003248 0.42043 7.60563
159 5JE8 NAD 0.005105 0.41499 7.61589
160 5GWX SAM 0.004265 0.41554 7.74648
161 5GWX SAR 0.004265 0.41554 7.74648
162 1JQ3 AAT 0.002582 0.40919 7.77027
163 1G6H ADP 0.03056 0.42466 7.7821
164 5FA5 MTA 0.0007091 0.48254 7.93269
165 1XCL SAH 0.004613 0.40195 8.08511
166 5FTW SAH 0.0007214 0.46503 8.20312
167 5N53 8NB 0.001074 0.50417 8.20513
168 5AHO TLA 0.0002942 0.53046 8.33333
169 3OFK SAH 0.0001335 0.49358 8.7963
170 1V59 NAD 0.0002725 0.51367 8.89423
171 4M38 SAH 0.0000285 0.52819 9.0379
172 3NZ1 3NY 0.02272 0.43671 9.1954
173 1Z3C SA8 0.0007591 0.43737 9.39597
174 3TL1 JRO 0.0448 0.41114 9.43396
175 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.04008 0.40639 9.52381
176 5KOK SAH 0.0002165 0.493 9.57179
177 5KOK S9T 0.001396 0.41676 9.57179
178 5KOK R9T 0.003142 0.406 9.57179
179 2AOT SAH 0.000001701 0.61015 9.58904
180 1JQD SAH 0.0000793 0.47586 9.58904
181 1JQD HSM 0.0002508 0.46628 9.58904
182 1R18 SAH 0.002599 0.4366 9.69163
183 1BC5 SAH 0.002254 0.43606 10.0372
184 4IF4 BEF 0.018 0.43083 10.0962
185 2RGO FAD 0.001386 0.40994 10.3365
186 4JWK CTN 0.04553 0.41198 10.3627
187 2VDV SAM 0.001669 0.4689 10.9756
188 2PXX SAH 0.0001312 0.50298 11.6279
189 2V7Q ADP 0.0273 0.41521 12.3288
190 5X62 SAH 0.00001187 0.56269 12.5616
191 1OMO NAD 0.006384 0.4136 12.7329
192 3H8V ATP 0.0009078 0.46853 13.0137
193 1DL5 SAH 0.001973 0.42936 13.2492
194 4II2 ATP 0.0007527 0.4642 13.253
195 3IWD M2T 0.03148 0.41011 14.5161
196 3GWZ SAH 0.001777 0.46755 14.6341
197 3GXO SAH 0.005465 0.4393 14.6341
198 4QTU SAM 0.00003377 0.53001 15.3846
199 4FZV SAM 0.003231 0.4357 15.4812
200 5IL1 SAM 0.02475 0.40114 15.566
201 2YX1 SFG 0.0009908 0.48017 15.7738
202 1TPY SAH 0.0000193 0.5307 16.3763
203 1VE3 SAM 0.0007712 0.47184 16.7401
204 1KPG SAH 0.0000165 0.53371 17.4216
205 4R6W SAH 0.00006775 0.47169 17.8295
206 1KPH SAH 0.00002067 0.52938 18.4669
207 4OBW SAM 0.0005225 0.47975 18.677
208 5L95 AMP 0.002196 0.44683 18.75
209 4URG C2E 0.03001 0.4192 19.1617
210 1IM8 SAI 0.000002285 0.57752 20.082
211 5DX8 SFG 0.0003667 0.4703 20.9169
212 5DXA SFG 0.0003669 0.47029 20.9169
213 5DX1 SFG 0.0004786 0.45811 20.9169
214 3Q87 SAM 0.001398 0.44508 22.9412
215 3EGV SAH 0.0003159 0.49469 25.9843
216 2NXE SAM 0.000287 0.49192 25.9843
Pocket No.: 2; Query (leader) PDB : 5T67; Ligand: JHZ; Similar sites found: 233
This union binding pocket(no: 2) in the query (biounit: 5t67.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.04735 0.4177 None
2 2BOS GLA GAL GLC 0.04915 0.41639 None
3 3HVJ 705 0.003451 0.40076 0.904977
4 3CMJ SRT 0.02521 0.42427 0.961538
5 1L7E NAI 0.007712 0.41467 1.30208
6 1F8G NAD 0.01034 0.41454 1.30208
7 3ITJ CIT 0.01595 0.43433 1.47929
8 1X14 NAD 0.001276 0.47085 1.49626
9 4DMG SAM 0.003277 0.46354 1.52672
10 5VN0 FAD 0.003309 0.40142 1.68269
11 5VN0 NAI 0.01207 0.40132 1.68269
12 3U31 NAD 0.01711 0.40465 1.72414
13 3GCZ SAM 0.02039 0.40944 1.77305
14 3KLJ FAD 0.001943 0.4188 1.81818
15 3EVG SAH 0.01885 0.41107 1.81818
16 3A4T SFG 0.002748 0.44041 1.82482
17 2HJR APR 0.01216 0.40866 1.82927
18 3TLJ SAH 0.01073 0.41381 1.87668
19 3S1S SAH 0.01149 0.40976 1.92308
20 1N2X SAM 0.002453 0.43938 1.99336
21 3GFB NAD 0.008058 0.40626 2
22 3VSE SAH 0.004111 0.45846 2.01005
23 2DFV NAD 0.004996 0.41484 2.01729
24 3O7W SAM 0.0005799 0.49708 2.04082
25 4M73 SAH 0.0004961 0.43355 2.07715
26 4M73 M72 0.001347 0.41547 2.07715
27 2AWN ADP 0.04308 0.41289 2.09974
28 1CER NAD 0.01254 0.40062 2.1148
29 1DJN ADP 0.009928 0.41256 2.16346
30 3IHG FAD 0.007362 0.4055 2.16346
31 5E8J SAH 0.0005925 0.49661 2.24359
32 5DLY SAH 0.0004545 0.43245 2.25564
33 5DLY 5D7 0.0006675 0.4218 2.25564
34 2RBK VN4 0.03278 0.4202 2.29885
35 1MV8 NAD 0.001089 0.44515 2.40385
36 1MUU NAD 0.002114 0.43602 2.40385
37 3S5W FAD 0.007381 0.40093 2.40385
38 4BLW SAH 0.01165 0.40197 2.42215
39 5XVK SAH 0.001022 0.45615 2.46479
40 1H0A I3P 0.03996 0.41755 2.53165
41 2HK9 ATR 0.004667 0.46011 2.54545
42 1KYQ NAD 0.0004871 0.4911 2.55474
43 3OJO NAD 0.009973 0.41247 2.64423
44 5MQ6 NDP 0.01178 0.40927 2.64423
45 4DCM SAM 0.006555 0.44008 2.66667
46 2AF6 FAD 0.01673 0.43302 2.71318
47 2OOR NAD 0.006551 0.42345 2.87356
48 1WY7 SAH 0.0143 0.40817 2.89855
49 3GRU AMP 0.00005466 0.51218 3.05085
50 3W9F I3P 0.02619 0.40719 3.07692
51 3I7S PYR 0.03338 0.4149 3.08219
52 1P31 EPU 0.006374 0.43353 3.125
53 1P3D UMA 0.00754 0.40991 3.125
54 1NW5 SAM 0.01314 0.41552 3.1348
55 3WV8 ATP 0.001257 0.46307 3.21101
56 1Z82 G3P 0.04662 0.41424 3.28358
57 1Z82 G3H 0.04871 0.41316 3.28358
58 3I53 SAH 0.001712 0.45315 3.31325
59 4K28 NAD 0.0033 0.42777 3.34572
60 5H81 NAP 0.01705 0.40472 3.36538
61 4PIO AVI 0.0008325 0.43284 3.40557
62 4PIO SAH 0.0009108 0.42881 3.40557
63 3DMH SAM 0.001111 0.46173 3.41207
64 3DMH GMP 0.00449 0.41675 3.41207
65 1EZ4 NAD 0.00831 0.40814 3.45912
66 4RDH AMP 0.001209 0.47638 3.47222
67 4RDI ATP 0.001982 0.45764 3.47222
68 1KYZ SAH 0.003622 0.44892 3.56164
69 2F1K NAP 0.009664 0.40538 3.58423
70 4C4A SAH 0.00003122 0.53775 3.60577
71 3GJ5 GDP 0.03446 0.41055 3.61991
72 3DXY SAM 0.000005534 0.6064 3.66972
73 3A27 SAM 0.0003767 0.49185 3.67647
74 5D4V SAH 0.006459 0.42373 3.73134
75 3GDH SAH 0.003007 0.43243 3.73444
76 4RL4 PPV 0.01805 0.44657 3.77358
77 3ICS ADP 0.00345 0.46239 3.84615
78 3ICT ADP 0.003909 0.45959 3.84615
79 3PT9 SAH 0.002848 0.45016 3.84615
80 1X87 NAD 0.00356 0.43224 3.84615
81 4JK3 NAD 0.01171 0.40187 3.861
82 5MPT SAH 0.0005734 0.4832 3.86473
83 1NV8 SAM 0.0007545 0.44566 3.87324
84 1NV8 MEQ 0.002498 0.42726 3.87324
85 5THY SAH 0.0002035 0.49541 3.95062
86 4D79 ATP 0.0009916 0.47191 3.98551
87 2ZIF SAM 0.002822 0.44671 4.0404
88 1G55 SAH 0.005439 0.43342 4.08163
89 1OBB NAD 0.01286 0.40501 4.08654
90 4X8D AVI 0.04806 0.40342 4.08654
91 2VT3 ATP 0.00012 0.53757 4.18605
92 5MW4 5JU 0.002632 0.41149 4.19162
93 3HQP FDP 0.03508 0.4136 4.32692
94 3EGI ADP 0.0002234 0.54301 4.36893
95 1TE2 PGA 0.04167 0.41846 4.42478
96 2UYQ SAM 0.003884 0.47227 4.51613
97 3VYW SAM 0.008196 0.42202 4.54545
98 1ZQ9 SAM 0.0008429 0.47526 4.5614
99 2WPB ZZI 0.02397 0.43048 4.56731
100 5X7Q GLC GLC GLC 0.02538 0.41814 4.56731
101 2EG5 SAH 0.000341 0.50871 4.56989
102 2DPM SAM 0.01466 0.40768 4.57746
103 2P41 SAH 0.03138 0.40043 4.59016
104 2I7C AAT 0.001798 0.41771 4.59364
105 1G60 SAM 0.0121 0.4172 4.61538
106 2A5J GDP 0.02234 0.41691 4.71204
107 2FK8 SAM 0.00001135 0.55265 4.71698
108 2JJQ SAH 0.02304 0.41622 4.80769
109 1QAN SAH 0.0003791 0.47901 4.91803
110 2Q7V FAD 0.002142 0.40015 4.92308
111 2HZL PYR 0.04862 0.418 4.93151
112 2O07 MTA 0.00363 0.42056 4.93421
113 2O07 SPD 0.004196 0.41297 4.93421
114 2A14 SAH 0.001384 0.45379 4.94297
115 3FZG SAM 0.0004652 0.49686 5
116 2D2I NAP 0.01196 0.40898 5
117 1ZMD NAI 0.008583 0.41005 5.04808
118 1JG3 ADN 0.0005256 0.48499 5.10638
119 2BZG SAH 0.000463 0.4876 5.17241
120 1Y8Q ATP 0.0008699 0.45577 5.20231
121 2DT5 NAD 0.008305 0.40337 5.21327
122 3G89 SAM 0.00002968 0.56216 5.22088
123 3A25 SAM 0.0006086 0.48197 5.31561
124 3FPF MTA 0.002662 0.40079 5.36913
125 3FPF TNA 0.002662 0.40079 5.36913
126 3BGD SAH 0.0006116 0.46597 5.38462
127 3BGD PM6 0.0006894 0.4503 5.38462
128 5HJM MTA 0.003382 0.44304 5.39773
129 2YVJ NAI 0.003053 0.44873 5.50459
130 2ZWA SAH 0.001178 0.45692 5.52885
131 3FUU ADN 0.00004986 0.52829 5.53506
132 1L1E SAH 0.000008967 0.55733 5.57491
133 1XDS SAM 0.001947 0.47055 5.61497
134 1QZZ SAM 0.003056 0.46067 5.61497
135 2G5C NAD 0.01029 0.40187 5.69395
136 1LSS NAD 0.001644 0.45396 5.71429
137 1Z0A GDP 0.04642 0.40062 5.74713
138 5H06 MAL 0.03464 0.42828 5.76923
139 1VQW FAD 0.00333 0.40988 5.76923
140 5G3U FDA 0.002588 0.40321 5.76923
141 2GV8 FAD 0.005249 0.40021 5.76923
142 1RL4 BL5 0.04639 0.41086 5.85106
143 4POO SAM 0.01073 0.40844 6
144 2XVM SAH 0.0003419 0.50865 6.03015
145 3QV1 NAD 0.007798 0.41183 6.09756
146 4TXI FAD 0.003769 0.41009 6.25
147 2BRY FAD 0.004011 0.40679 6.25
148 2EJU SAH 0.0004631 0.4876 6.34921
149 3GJ8 GDP 0.03852 0.40801 6.52174
150 4IWN GEK 0.00002137 0.53016 6.55022
151 3W6X HZP 0.03725 0.42224 6.55022
152 1P77 ATR 0.00662 0.46158 6.61765
153 5E1M PRO PRO LYS ARG ILE ALA 0.0003287 0.44543 6.639
154 5E1M SAH 0.0003287 0.44543 6.639
155 3GU3 SAH 0.00008983 0.55055 6.69014
156 4ONQ SFG 0.002007 0.45738 6.72269
157 1PL6 NAD 0.01391 0.41147 6.74157
158 5MGZ SAH 0.000469 0.48299 6.77966
159 2FKA BEF 0.01997 0.42839 6.97674
160 1P1C SAH 0.001719 0.44619 7.03518
161 3VC1 SAH 0.00005986 0.45569 7.05128
162 3VC1 GST 0.00005986 0.45569 7.05128
163 5OFW 9TW 0.005896 0.46846 7.17489
164 3G2O SAM 0.00002268 0.54974 7.35786
165 5DM1 SAH 0.0004796 0.42918 7.49064
166 5DM1 5D7 0.0005684 0.42424 7.49064
167 1O94 ADP 0.01398 0.40343 7.57576
168 1BW9 NAD 0.001967 0.44693 7.58427
169 1C1X NAD 0.002834 0.42775 7.60563
170 5JE8 NAD 0.002081 0.43631 7.61589
171 5GWX SAR 0.001461 0.43981 7.74648
172 5GWX SAM 0.001461 0.43981 7.74648
173 1JQ3 AAT 0.002573 0.41415 7.77027
174 1G6H ADP 0.0358 0.42466 7.7821
175 5FA5 MTA 0.0008196 0.48471 7.93269
176 1XCL SAH 0.00539 0.40406 8.08511
177 5FTW SAH 0.0009391 0.46507 8.20312
178 5N53 8NB 0.001229 0.50592 8.20513
179 5AHO TLA 0.0003615 0.53046 8.33333
180 3OFK SAH 0.0001794 0.49358 8.7963
181 1V59 NAD 0.0003492 0.51367 8.89423
182 4M38 SAH 0.00003891 0.52822 9.0379
183 2IVD FAD 0.003761 0.40144 9.13461
184 3NZ1 3NY 0.02672 0.43671 9.1954
185 1Z3C SA8 0.001135 0.43565 9.39597
186 3TL1 JRO 0.04977 0.41263 9.43396
187 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.04195 0.40942 9.52381
188 5KOK SAH 0.000239 0.49662 9.57179
189 5KOK S9T 0.001414 0.42163 9.57179
190 5KOK R9T 0.002913 0.4121 9.57179
191 2AOT SAH 0.000002358 0.61015 9.58904
192 1JQD SAH 0.00005738 0.48737 9.58904
193 1JQD HSM 0.0001851 0.47738 9.58904
194 1R18 SAH 0.003341 0.4366 9.69163
195 2YN4 39J 0.0265 0.42794 9.74576
196 1BC5 SAH 0.002499 0.43903 10.0372
197 4IF4 BEF 0.02113 0.43083 10.0962
198 2RGO FAD 0.001547 0.41331 10.3365
199 2VDV SAM 0.001984 0.47014 10.9756
200 2PXX SAH 0.0001521 0.50575 11.6279
201 5X62 SAH 0.00001391 0.5658 12.5616
202 1OMO NAD 0.007745 0.41459 12.7329
203 3H8V ATP 0.001083 0.4701 13.0137
204 4Y2H 49K 0.0005037 0.40014 13.0682
205 1DL5 SAH 0.002487 0.43012 13.2492
206 4II2 ATP 0.0007711 0.46898 13.253
207 3IWD M2T 0.03686 0.41011 14.5161
208 3GWZ SAH 0.002233 0.46755 14.6341
209 3GXO SAH 0.006189 0.44131 14.6341
210 4QTU SAM 0.00004578 0.53001 15.3846
211 4FZV SAM 0.004131 0.43566 15.4812
212 5IL1 SAM 0.02753 0.40317 15.566
213 2YX1 SFG 0.001255 0.48017 15.7738
214 1TLG GAL 0.04291 0.41357 16
215 1TPY SAH 0.00002303 0.53357 16.3763
216 1NVT NAP 0.01489 0.40223 16.7247
217 1VE3 SAM 0.0008872 0.4742 16.7401
218 3GJ7 GDP 0.04552 0.40419 17.3469
219 1KPG SAH 0.00002057 0.53577 17.4216
220 4R6W SAH 0.00003592 0.4883 17.8295
221 4R6W PC 0.0002142 0.40736 17.8295
222 3GJ4 GDP 0.03871 0.4079 18.1818
223 1KPH SAH 0.00002537 0.53168 18.4669
224 4OBW SAM 0.0006778 0.47975 18.677
225 5L95 AMP 0.002557 0.4487 18.75
226 4URG C2E 0.03532 0.4192 19.1617
227 1IM8 SAI 0.00000324 0.57752 20.082
228 5DX8 SFG 0.0004264 0.47288 20.9169
229 5DXA SFG 0.0004287 0.47277 20.9169
230 5DX1 SFG 0.0005389 0.4613 20.9169
231 3Q87 SAM 0.001567 0.44796 22.9412
232 3EGV SAH 0.0004106 0.49469 25.9843
233 2NXE SAM 0.0003576 0.49292 25.9843
Pocket No.: 3; Query (leader) PDB : 5T67; Ligand: JHZ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5t67.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5T67; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5t67.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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