Receptor
PDB id Resolution Class Description Source Keywords
1KPH 2 Å EC: 2.1.1.79 CRYSTAL STRUCTURE OF MYCOLIC ACID CYCLOPROPANE SYNTHASE CMAA1 COMPLEXED WITH SAH AND DDDMAB MYCOBACTERIUM TUBERCULOSIS MIXED ALPHA BETA FOLD STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF MYCOLIC ACID CYCLOPROPANE SYNTHASES FROM MYCOBACTERIUM TUBERCULOSIS J.BIOL.CHEM. V. 277 11559 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
10A A:1901;
B:2901;
C:3901;
D:4901;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
326.623 C22 H48 N CCCCC...
CO3 A:1902;
B:2902;
C:3902;
D:4902;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
60.009 C O3 C(=O)...
SAH A:1900;
B:2900;
C:3900;
D:4900;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
1KPH 2 Å EC: 2.1.1.79 CRYSTAL STRUCTURE OF MYCOLIC ACID CYCLOPROPANE SYNTHASE CMAA1 COMPLEXED WITH SAH AND DDDMAB MYCOBACTERIUM TUBERCULOSIS MIXED ALPHA BETA FOLD STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF MYCOLIC ACID CYCLOPROPANE SYNTHASES FROM MYCOBACTERIUM TUBERCULOSIS J.BIOL.CHEM. V. 277 11559 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KPH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L1E - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1TPY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 1KPH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 1L1E - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1TPY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 1KPH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 2FK8 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 10A; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 10A 1 1
2 ZWI 0.628571 0.604167
3 16A 0.592593 1
4 D9G 0.575758 0.805556
5 DET 0.551724 0.756757
6 LDA 0.551724 0.756757
7 DDQ 0.551724 0.756757
8 XA7 0.413793 0.931035
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KPH; Ligand: 10A; Similar sites found: 31
This union binding pocket(no: 1) in the query (biounit: 1kph.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.01724 0.41073 None
2 1JPA ANP 0.02973 0.40155 1.39373
3 3V1S 0LH 0.02195 0.40423 1.74216
4 3CHT 4NB 0.008904 0.4296 2.09059
5 4LO2 GAL BGC 0.02065 0.40485 2.43902
6 5HVJ ANP 0.02535 0.4026 2.43902
7 4MRP GSH 0.01728 0.40705 3.13589
8 2JK0 ASP 0.006464 0.43433 3.48432
9 4BG4 ARG 0.02063 0.40518 3.48432
10 1ECM TSA 0.01618 0.40583 3.66972
11 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.005618 0.44034 4.52962
12 1OBD AMP 0.01795 0.40854 4.52962
13 2QCX PF1 0.0233 0.40441 5.32319
14 2HIM ASN 0.004942 0.43306 5.57491
15 2HIM ASP 0.006529 0.4271 5.57491
16 4XBT FLC 0.008886 0.40627 5.80645
17 4XBT 3ZQ 0.01093 0.40595 5.80645
18 4X6F 3XU 0.01007 0.41761 6.66667
19 1XMY ROL 0.01487 0.40766 7.31707
20 5AAV GW5 0.02496 0.41045 8.33333
21 5G3N X28 0.008362 0.40043 10.2362
22 4GGZ BTN 0.01448 0.40016 10.4348
23 2ZQO NGA 0.02428 0.40069 10.7692
24 3VC1 SAH 0.01616 0.40989 11.4983
25 4CUB GAL NAG 0.01838 0.40833 13.1148
26 5V4R MGT 0.01039 0.42185 13.5802
27 5DNC ASN 0.01147 0.41328 14.6341
28 1UUY PPI 0.001651 0.43039 16.7665
29 3WUR O4B 0.01274 0.40877 21.0526
30 5KOK S9T 0.0003699 0.47926 25.784
31 4KRI 1SH 0.006364 0.43272 29.2683
Pocket No.: 2; Query (leader) PDB : 1KPH; Ligand: SAH; Similar sites found: 364
This union binding pocket(no: 2) in the query (biounit: 1kph.bio3) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FKA BEF 0.009379 0.42919 None
2 3FGZ BEF 0.0121 0.42087 None
3 1WUW TSU 0.02174 0.40682 None
4 3WV8 ATP 0.001881 0.41218 1.37615
5 3HQP FDP 0.02931 0.40186 1.39373
6 1ELI PYC 0.001748 0.44204 1.74216
7 1X87 NAD 0.001653 0.41682 1.74216
8 2GCG DGY 0.03995 0.40242 1.74216
9 2HK9 ATR 0.01307 0.41139 1.81818
10 4X7Y SAH 0.01267 0.40704 1.82482
11 1BC5 SAH 0.004343 0.40053 1.85874
12 4YMH SAH 0.0006139 0.44345 2.08333
13 4KIB SAH 0.00001038 0.48568 2.09059
14 3ZNN FAD 0.008355 0.4265 2.09059
15 2Q1S NAI 0.007919 0.41798 2.09059
16 2JHP SAH 0.00464 0.41695 2.09059
17 2YX1 SFG 0.0003875 0.41669 2.09059
18 2ATJ BHO 0.01353 0.41533 2.09059
19 5EZ7 FAD 0.008769 0.41223 2.09059
20 3CGD FAD 0.04076 0.40446 2.09059
21 3CGD COA 0.04076 0.40446 2.09059
22 5D4V SAH 0.003193 0.41012 2.23881
23 2Q89 6CS 0.01218 0.41715 2.33463
24 3I53 SAH 0.0006303 0.44297 2.40964
25 4YDD MD1 0.003554 0.45234 2.43902
26 4YDD MGD 0.003554 0.45234 2.43902
27 2V3V MGD 0.008391 0.43469 2.43902
28 1ZGA SAH 0.003535 0.43028 2.43902
29 5BUK FAD 0.004487 0.42994 2.43902
30 1SQF SAM 0.002121 0.4282 2.43902
31 4TM3 FAD 0.01259 0.42462 2.43902
32 1MO9 KPC 0.02452 0.41612 2.43902
33 1MO9 FAD 0.026 0.4144 2.43902
34 4RVG SAM 0.00001615 0.40738 2.43902
35 3VSE SAH 0.0007384 0.40016 2.43902
36 3GDH SAH 0.00001508 0.489 2.48963
37 5KVA SAM 0.0005043 0.44308 2.51799
38 3LCC SAH 0.000002138 0.56589 2.55319
39 5MX4 HPA 0.0282 0.40477 2.57511
40 1Q0S SAH 0.0002979 0.43996 2.7027
41 3MQ2 SAH 0.0002304 0.47518 2.75229
42 2JJQ SAH 0.0004382 0.47262 2.78746
43 5MW4 5JU 0.0004558 0.47002 2.78746
44 3PT9 SAH 0.0003214 0.46402 2.78746
45 5FJN BE2 0.001192 0.45669 2.78746
46 5FJN FAD 0.001021 0.45669 2.78746
47 3QOX SAH 0.0003603 0.45103 2.78746
48 5JCM ISD 0.01116 0.42527 2.78746
49 5JCM FAD 0.0109 0.42513 2.78746
50 5JCM NAD 0.01124 0.42513 2.78746
51 3U31 NAD 0.001708 0.4213 2.78746
52 4UP3 FAD 0.007433 0.41639 2.78746
53 4RPL FAD 0.01854 0.41431 2.78746
54 4RPL 3UC 0.02187 0.4127 2.78746
55 1MUU NAD 0.001326 0.40385 2.78746
56 5UAV NDP 0.01136 0.40206 2.78746
57 5UAV TFB 0.01203 0.40206 2.78746
58 1MV8 NAD 0.001601 0.40133 2.78746
59 2ZFU SAH 0.00003213 0.48611 2.7907
60 3G89 SAM 0.0000003049 0.61997 2.81124
61 3GU3 SAH 0.00005828 0.52657 2.8169
62 3EGI ADP 0.00003094 0.55555 2.91262
63 1KYQ NAD 0.0008657 0.44952 2.91971
64 3H8V ATP 0.00178 0.43154 3.08219
65 4OBW SAM 0.0001102 0.48433 3.11284
66 5FTW SAH 0.00137 0.42882 3.125
67 5F8F SFG 0.00004211 0.51395 3.13589
68 4Y2H 49K 0.0001757 0.4871 3.13589
69 4Y2H SAH 0.0001902 0.48558 3.13589
70 3GRU AMP 0.000197 0.46187 3.13589
71 4BV6 FAD 0.00401 0.42926 3.13589
72 2VHW NAI 0.004797 0.4206 3.13589
73 4D7E FAD 0.004814 0.42054 3.13589
74 5EB4 FAD 0.006263 0.41969 3.13589
75 1OBB NAD 0.00206 0.40689 3.13589
76 5XVK SAH 0.0001265 0.46981 3.16901
77 2DPM SAM 0.001703 0.42136 3.16901
78 1QAN SAH 0.0001089 0.47044 3.27869
79 1SQS TLA 0.02113 0.40548 3.30579
80 4LZB URA 0.02538 0.40262 3.36134
81 5CUQ NSC 0.0009721 0.44571 3.37079
82 3H2B SAH 0.00000198 0.5541 3.44828
83 3O7W SAM 0.00007157 0.50935 3.48432
84 2EG5 SAH 0.00007208 0.5092 3.48432
85 4C4A SAH 0.00002251 0.50893 3.48432
86 2P41 SAH 0.0002621 0.46789 3.48432
87 3A25 SAM 0.0004404 0.45804 3.48432
88 1QZZ SAM 0.001068 0.45457 3.48432
89 5F2K OCA 0.0008521 0.44816 3.48432
90 5F2K SAH 0.0008521 0.44816 3.48432
91 5JJR SAH 0.0008152 0.44636 3.48432
92 3UCL NAP 0.008265 0.43323 3.48432
93 3UCL CYH 0.007549 0.43323 3.48432
94 3UCL FAD 0.007549 0.43323 3.48432
95 3TKA SAM 0.002525 0.41769 3.48432
96 4X9M FAD 0.008001 0.41497 3.48432
97 2PZM UDP 0.01168 0.41042 3.48432
98 2PZM NAD 0.01168 0.41042 3.48432
99 2BZ1 TAU 0.01306 0.42513 3.57143
100 1EYQ NAR 0.0213 0.40486 3.6036
101 3EVG SAH 0.0002636 0.46778 3.63636
102 3JWH SAH 0.00001926 0.45688 3.68664
103 3ML1 MGD 0.00141 0.47066 3.7037
104 3OFK SAH 0.0001876 0.46074 3.7037
105 2VT3 ATP 0.0003126 0.485 3.72093
106 4RL4 PPV 0.0023 0.47219 3.77358
107 5FUI APY 0.01018 0.41213 3.78788
108 3G2O SAM 0.00001293 0.52498 3.83275
109 5MPT SAH 0.00005412 0.49782 3.83275
110 2EFJ SAH 0.00002999 0.47253 3.83275
111 1Y8Q ATP 0.0002964 0.44144 3.83275
112 1BZL FAD 0.01157 0.43751 3.83275
113 2ZWA SAH 0.0009897 0.43104 3.83275
114 1Q9I TEO 0.01253 0.41837 3.83275
115 2YVJ NAI 0.005849 0.40892 3.83275
116 3OND ADN 0.01597 0.40762 3.83275
117 2YVF FAD 0.0324 0.40108 3.83275
118 2YVF NAD 0.03338 0.40108 3.83275
119 3FPF MTA 0.00004757 0.40024 3.83275
120 3FPF TNA 0.00004757 0.40024 3.83275
121 4IF4 BEF 0.01232 0.41757 3.84615
122 4YMX ARG 0.01558 0.40762 3.84615
123 2BZG SAH 0.000001319 0.56829 3.87931
124 2CHT TSA 0.0262 0.4044 3.93701
125 5N5D SAM 0.0007455 0.4268 3.9823
126 3FZG SAM 0.00001272 0.53768 4
127 3A27 SAM 0.0006522 0.45059 4.04412
128 1P77 ATR 0.006575 0.43556 4.04412
129 3FUU ADN 0.00001676 0.51442 4.05904
130 4M73 SAH 0.00002911 0.51729 4.18118
131 1XDS SAM 0.0005505 0.468 4.18118
132 4DCM SAM 0.0005837 0.46186 4.18118
133 1RJD SAM 0.0002453 0.46016 4.18118
134 4A6D SAM 0.0008993 0.4404 4.18118
135 1FEC FAD 0.004125 0.43338 4.18118
136 5J60 FAD 0.003844 0.42908 4.18118
137 2BRY FAD 0.003024 0.42579 4.18118
138 1LVL NAD 0.00165 0.42544 4.18118
139 1PN0 FAD 0.00765 0.42212 4.18118
140 1PN0 IPH 0.007975 0.42212 4.18118
141 2WPF WPF 0.03058 0.41763 4.18118
142 1ZMD NAI 0.001024 0.41423 4.18118
143 3NTD FAD 0.008455 0.41193 4.18118
144 1R37 NAD 0.006963 0.4113 4.18118
145 5MBX FAD 0.01817 0.40952 4.18118
146 5MBX SP5 0.01817 0.40952 4.18118
147 4M73 M72 0.00004503 0.40701 4.18118
148 3F8D FAD 0.03663 0.40367 4.18118
149 3NT6 FAD 0.01432 0.40183 4.18118
150 3DUW SAH 0.0005392 0.44991 4.4843
151 4POO SAM 0.000097 0.45808 4.5
152 1G8K MGD 0.006921 0.43687 4.51128
153 1L5Y BEF 0.006929 0.42605 4.51613
154 1P1C SAH 0.0004897 0.43835 4.52261
155 1O5O U5P 0.006099 0.4233 4.52489
156 4RDH AMP 0.0003603 0.47142 4.52962
157 1G55 SAH 0.0004398 0.4537 4.52962
158 1NW5 SAM 0.001473 0.43124 4.52962
159 4RDI ATP 0.0006179 0.42837 4.52962
160 1KYZ SAH 0.00592 0.4087 4.52962
161 5UAO FAD 0.01503 0.4009 4.52962
162 3DXY SAM 0.00001111 0.55423 4.58716
163 1AX2 NDG GAL 0.008786 0.42905 4.60251
164 5N53 8NB 0.003468 0.45215 4.61538
165 4J4H NAI 0.01102 0.41495 4.6332
166 4J4H 1J1 0.01198 0.41248 4.6332
167 2PWY SAH 0.0001105 0.46358 4.65116
168 1X14 NAD 0.001046 0.44586 4.73815
169 3FRH SAH 0.00002362 0.49995 4.74308
170 5X62 SAH 0.00001485 0.52832 4.87805
171 4D79 ATP 0.000351 0.43627 4.87805
172 1V6A TRE 0.007267 0.43492 4.87805
173 2Q28 ADP 0.005724 0.40597 4.87805
174 5LOG SAH 0.001306 0.41764 5.15021
175 4M37 SAH 0.00003419 0.50116 5.22648
176 4M38 SAH 0.00002742 0.50005 5.22648
177 1NVM NAD 0.002257 0.43127 5.22648
178 3GXO SAH 0.004906 0.41964 5.22648
179 3GWZ SAH 0.0006463 0.41824 5.22648
180 4YAG NAI 0.01078 0.41107 5.22648
181 4IWN GEK 0.00002254 0.50078 5.24017
182 5DM1 SAH 0.00002119 0.41345 5.24345
183 5DM1 5D7 0.00002385 0.40773 5.24345
184 1MFI FHC 0.02909 0.40345 5.26316
185 3GCZ SAM 0.000512 0.4295 5.31915
186 1PVS 7HP 0.02367 0.4092 5.31915
187 3ICT ADP 0.0008169 0.46507 5.57491
188 3ICS ADP 0.001143 0.4581 5.57491
189 3LKZ SFG 0.0006869 0.44541 5.57491
190 3LXD FAD 0.002966 0.42857 5.57491
191 3ICR FAD 0.01067 0.40645 5.57491
192 2AJH MET 0.00834 0.43682 5.61225
193 4XFR CIT 0.01675 0.40988 5.62061
194 2Y7I ARG 0.01169 0.41378 5.67686
195 1LSS NAD 0.0009296 0.43589 5.71429
196 3BGD SAH 0.000003612 0.52284 5.76923
197 3BGD PM6 0.00001593 0.47032 5.76923
198 1UAY ADN 0.002097 0.44088 5.78512
199 5JGL SAM 0.0001251 0.44892 5.92335
200 1UWK NAD 0.004167 0.43229 5.92335
201 2UYQ SAM 0.007312 0.43161 5.92335
202 3C6K MTA 0.01176 0.40357 5.92335
203 2PX8 SAH 0.006954 0.40563 5.94796
204 2AE2 PTO 0.01485 0.40304 6.15385
205 2AE2 NAP 0.01485 0.40304 6.15385
206 3A4T SFG 0.0003827 0.44801 6.20438
207 1Z3C SA8 0.00006625 0.43207 6.27178
208 3TKY SAH 0.0008631 0.42651 6.27178
209 5M67 NAD 0.01474 0.41 6.27178
210 5M67 ADE 0.01532 0.40924 6.27178
211 5M67 3D1 0.01783 0.40622 6.27178
212 3SSO SAH 0.005376 0.4039 6.27178
213 3PFG SAM 0.03762 0.40983 6.46388
214 3S1S SAH 0.0009606 0.42533 6.62021
215 4REP FAD 0.007127 0.41621 6.62021
216 1ZQ9 SAM 0.0001261 0.48177 6.66667
217 4U36 TNR 0.005865 0.43953 6.66667
218 1EJ0 SAM 0.002175 0.42772 6.66667
219 3ZJQ NCA 0.01942 0.42237 6.66667
220 1XTP SAI 0.000005313 0.54185 6.69291
221 5BW4 SAM 0.000007806 0.49072 6.74157
222 3CBG SAH 0.002284 0.43071 6.89655
223 3X0D SAH 0.00003011 0.50353 6.96864
224 2ZIF SAM 0.00006502 0.48922 6.96864
225 3GGO ENO 0.005932 0.42266 6.96864
226 5E1M PRO PRO LYS ARG ILE ALA 0.0000092 0.53595 7.05394
227 5E1M SAH 0.0000092 0.53595 7.05394
228 2GN3 MAN 0.01239 0.42443 7.14286
229 2GN3 MMA 0.01444 0.41899 7.14286
230 2GNB MAN 0.01672 0.41748 7.14286
231 2GNM MAN 0.02179 0.41023 7.14286
232 2GMM MAN MAN 0.02703 0.40485 7.14286
233 2PHT MAN MAN MAN 0.03163 0.40194 7.14286
234 3NDJ JHZ 0.00001869 0.53882 7.31707
235 2IZ1 ATR 0.001442 0.47202 7.31707
236 2R4J 13P 0.002963 0.44412 7.31707
237 4YNU LGC 0.007161 0.42424 7.31707
238 4YNU FAD 0.006087 0.424 7.31707
239 4EIP K2C 0.008922 0.41826 7.31707
240 4EIP FAD 0.008922 0.41826 7.31707
241 1GVF PGH 0.01058 0.42486 7.34266
242 3MB5 SAM 0.00007836 0.46909 7.45098
243 1JT1 MCO 0.0128 0.41784 7.60456
244 1N2X SAM 0.00005085 0.47622 7.66551
245 3DMH SAM 0.0001819 0.4656 7.66551
246 4LWP SAH 0.0002235 0.44341 7.66551
247 3DMH GMP 0.0003618 0.41748 7.66551
248 2Q3M MLA 0.0273 0.4163 7.66551
249 4Q3F TLA 0.01066 0.42129 7.69231
250 4RSL FAD 0.0007862 0.45488 7.86517
251 4YSX FAD 0.01099 0.40885 7.97872
252 5THY SAH 0.00007266 0.48231 8.01394
253 2EJU SAH 0.000261 0.46797 8.01394
254 2HNK SAH 0.002318 0.41925 8.01394
255 1B4N GUA 0.01722 0.41514 8.01394
256 5U8U FAD 0.0199 0.41347 8.01394
257 1SQL GUN 0.01849 0.41436 8.21918
258 3OU2 SAH 0.0001071 0.45067 8.25688
259 5THZ SAH 0.00009801 0.4744 8.36237
260 3LST SAH 0.0008934 0.45818 8.36237
261 3TLJ SAH 0.0001892 0.45399 8.36237
262 1JG3 ADN 0.00004512 0.50127 8.51064
263 3LCV SAM 0.000084 0.47717 8.54093
264 4DMG SAM 0.004048 0.43183 8.6514
265 4BLW SAH 0.0003072 0.42809 8.7108
266 5E72 SAM 0.00001848 0.50211 8.95954
267 1OSS BEN 0.02808 0.40283 8.96861
268 2WA2 SAM 0.001312 0.40904 9.05797
269 4ONQ SFG 0.000007665 0.5349 9.05923
270 5A3B APR 0.003907 0.41292 9.05923
271 1VJT NAD 0.007677 0.4005 9.05923
272 3AD8 FAD 0.007591 0.43375 9.09091
273 3AD8 PYC 0.007591 0.43375 9.09091
274 3AD8 NAD 0.005023 0.41746 9.09091
275 4XUC SAM 0.001245 0.4437 9.17431
276 4XUC 43G 0.001245 0.4437 9.17431
277 4II2 ATP 0.0007185 0.44058 9.20245
278 1G60 SAM 0.00004915 0.49442 9.23077
279 5O4J SAH 0.003844 0.42249 9.48905
280 5O4J 9KH 0.003844 0.42249 9.48905
281 5O4J PJL 0.00406 0.42026 9.48905
282 1V59 NAD 0.0002051 0.49375 9.7561
283 5HJM MTA 0.0006777 0.44566 9.7561
284 1U2Z SAH 0.001584 0.42443 9.7561
285 5L95 AMP 0.001612 0.41624 10
286 4OPC FDA 0.01493 0.43254 10.1045
287 3VYW SAM 0.001228 0.43082 10.1045
288 2CDU ADP 0.002609 0.42813 10.1045
289 1WG8 SAM 0.00004873 0.489 10.1754
290 3IWD M2T 0.01848 0.4123 10.2941
291 3LAD FAD 0.008756 0.41512 10.453
292 3BXO SAM 0.00001704 0.53843 10.4603
293 1NV8 MEQ 0.000009651 0.47397 10.5634
294 1NV8 SAM 0.00001136 0.46458 10.5634
295 1I1N SAH 0.0001692 0.47193 10.6195
296 2PXX SAH 0.0000005304 0.57857 10.6977
297 4USR FAD 0.005876 0.41332 10.8014
298 5GM1 SAH 0.0000000001333 0.69784 11.1498
299 5JE0 AZ8 0.000008216 0.53297 11.336
300 5JE0 SAH 0.000008216 0.53297 11.336
301 2A14 SAH 0.0001678 0.46272 11.4068
302 3RKR NAP 0.002965 0.44302 11.4504
303 3VC1 SAH 0.00000000827 0.67951 11.4983
304 1F3L SAH 0.00001754 0.50303 11.4983
305 3VC1 GST 0.00000000827 0.49407 11.4983
306 3HVJ 705 0.0003634 0.47076 11.7647
307 4GQB 0XU 0.0003614 0.43689 11.8467
308 5FA5 MTA 0.000513 0.42166 11.8467
309 5G3U FDA 0.009711 0.40927 11.8467
310 2VDV SAM 0.00002151 0.53371 12.1951
311 4PIO SAH 0.0001555 0.41785 12.1951
312 3P2E SAH 0.00004614 0.49058 12.4444
313 4QTU SAM 0.0000003866 0.58445 12.5
314 5XVQ SAH 0.000238 0.44986 12.6761
315 1R18 SAH 0.000291 0.4529 12.7753
316 4KRG SAH 0.00004311 0.50767 12.892
317 1L3I SAH 0.00002282 0.46855 13.0208
318 4PNE SAH 0.0000000003472 0.6997 13.2404
319 1UP7 NAD 0.002994 0.4001 13.5889
320 4AZT SAM 0.000001698 0.56349 14.2857
321 5DNK SAH 0.00002023 0.44863 14.2857
322 4AZW SAM 0.00000918 0.5256 14.9826
323 5DLY SAH 0.00005048 0.40743 15.0376
324 5GWX SAM 0.0008821 0.41272 15.1408
325 5GWX SAR 0.0008821 0.41272 15.1408
326 3R51 MMA 0.007051 0.41816 15.625
327 2NXE SAM 0.000006894 0.53691 16.1417
328 3EGV SAH 0.00001796 0.52464 16.1417
329 5ULP KB1 0.0006513 0.42689 16.4179
330 5FA8 SAM 0.00009742 0.46511 16.7702
331 4CVN ADP 0.01346 0.41945 17.2775
332 1I9G SAM 0.00018 0.46579 17.5
333 1WY7 SAH 0.004958 0.40225 17.8744
334 4FZV SAM 0.001126 0.42449 18.1185
335 5T67 JHZ 0.00002537 0.53168 18.4669
336 5T67 SAH 0.00002067 0.52938 18.4669
337 5DX0 SFG 0.00001209 0.51627 18.4669
338 5DWQ SFG 0.00001231 0.51384 18.4669
339 5DX8 SFG 0.00006956 0.47114 18.4669
340 5DXA SFG 0.00007778 0.46935 18.4669
341 5E8J SAH 0.000006899 0.55676 19.1638
342 5E9W SAH 0.000005147 0.47066 19.1638
343 1DL5 SAH 0.0003674 0.42589 19.5122
344 3T7S SAM 0.0000001672 0.56297 20.1493
345 2XVM SAH 0.00001266 0.46917 21.1055
346 1IM8 SAI 0.000005503 0.52929 22.1311
347 1FP1 SAH 0.00163 0.44151 22.2997
348 2AOT SAH 0.0000003542 0.53193 22.9965
349 1JQD SAH 0.000007883 0.46302 22.9965
350 1JQD HSM 0.0001094 0.44224 22.9965
351 4NEC SAH 0.000000926 0.58958 23.1061
352 2HMT NAI 0.003887 0.4066 23.6111
353 5KOK SAH 0.00000001056 0.61711 25.784
354 5KOK S9T 0.0000002826 0.6014 25.784
355 5KOK R9T 0.0000005991 0.58544 25.784
356 5MGZ SAH 0.000003697 0.54249 25.8475
357 5DX1 SFG 0.00006711 0.48518 26.3158
358 5M58 SAH 0.00001056 0.50126 27.3913
359 1VE3 SAM 0.000009702 0.53043 28.6344
360 4KRI SAH 0.00000000457 0.65845 29.2683
361 2F5Z FAD 0.01658 0.40444 29.6875
362 4R6W SAH 0.00000003212 0.52809 30.2326
363 4R6W PC 0.0000001637 0.41488 30.2326
364 3Q87 SAM 0.0007383 0.42976 31.1765
Pocket No.: 3; Query (leader) PDB : 1KPH; Ligand: SAH; Similar sites found: 16
This union binding pocket(no: 3) in the query (biounit: 1kph.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BPX SAL 0.03144 0.40177 None
2 1J0X NAD 0.019 0.40092 1.74216
3 4RVG TYD 0.00001342 0.40156 2.43902
4 4X17 SIA SIA 0.02365 0.40255 2.57353
5 3EF0 ALF 0.02557 0.40629 2.78746
6 1AE1 NAP 0.01168 0.40041 3.663
7 2WPF FAD 0.01463 0.43209 4.18118
8 3WCZ CIT 0.005554 0.41182 4.52962
9 3M6W SAM 0.01313 0.40005 4.52962
10 5IL1 SAM 0.00893 0.40087 5.66038
11 3NOJ PYR 0.03375 0.40303 5.88235
12 2WG9 OCA 0.02634 0.40428 6.92308
13 3LEV ATP 0.02096 0.4053 8.37989
14 4QAR ADE 0.01553 0.40016 8.45771
15 2JAC GSH 0.01985 0.40985 10
16 2WMC MGP 0.01137 0.41586 10.6742
Pocket No.: 4; Query (leader) PDB : 1KPH; Ligand: 10A; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 1kph.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5K7K 6RJ 0.006539 0.41502 1.74216
2 2G2Y MLI 0.01906 0.41481 2.09059
3 4N6H EJ4 0.02331 0.40029 2.09059
4 4FHD EEM 0.0107 0.41192 6.27178
5 1KTG AMP 0.01224 0.4109 8.69565
Pocket No.: 5; Query (leader) PDB : 1KPH; Ligand: 10A; Similar sites found: 5
This union binding pocket(no: 5) in the query (biounit: 1kph.bio4) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PSC EBP 0.00599 0.42099 1.74216
2 3KP6 SAL 0.0122 0.41865 1.98676
3 3KYQ DPV 0.01978 0.40576 3.01508
4 5AAN XOC 0.02383 0.40408 8.02139
5 2ALG DAO 0.02494 0.40303 11.9565
Pocket No.: 6; Query (leader) PDB : 1KPH; Ligand: SAH; Similar sites found: 17
This union binding pocket(no: 6) in the query (biounit: 1kph.bio4) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FIU POP 0.02786 0.40077 2.00803
2 3BU1 HSM 0.03317 0.40582 2.02703
3 1I0B PEL 0.002789 0.43648 2.78746
4 2R2N KYN 0.0293 0.41459 2.78746
5 3SBZ MLI 0.03108 0.408 3.13589
6 1OMO NAD 0.003241 0.40004 3.13589
7 3QVL 5HY 0.02242 0.40793 3.26531
8 2WPB ZZI 0.03 0.40132 3.48432
9 4D42 NAP 0.02169 0.40309 4.60993
10 4D42 W0I 0.02169 0.40309 4.60993
11 2AF6 BRU 0.03042 0.40195 5.42636
12 3LL5 IP8 0.02875 0.40044 5.62249
13 3PFG TLO 0.00002805 0.4017 6.46388
14 3NJ4 NAD 0.02726 0.42539 7.31707
15 2BOS GLA GAL GLC NBU 0.03804 0.40072 8.82353
16 4I9B 1KA 0.01274 0.44107 9.40767
17 3ITJ FAD 0.01185 0.41509 10.453
Pocket No.: 7; Query (leader) PDB : 1KPH; Ligand: 10A; Similar sites found: 1
This union binding pocket(no: 7) in the query (biounit: 1kph.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JP3 CIT 0.01417 0.40061 3.76569
Pocket No.: 8; Query (leader) PDB : 1KPH; Ligand: SAH; Similar sites found: 6
This union binding pocket(no: 8) in the query (biounit: 1kph.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JW0 GUA 0.01833 0.41248 2.43902
2 1PR9 NAP 0.01118 0.40123 2.45902
3 3LXI CAM 0.02446 0.4078 3.13589
4 2B9W FAD 0.02931 0.40057 6.62021
5 4BLW AMP 0.0002104 0.40026 8.7108
6 4PIO AVI 0.0008165 0.40033 12.1951
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