Receptor
PDB id Resolution Class Description Source Keywords
2JAH 1.8 Å EC: 1.-.-.- BIOCHEMICAL AND STRUCTURAL ANALYSIS OF THE CLAVULANIC ACID DEHYDEOGENASE (CAD) FROM STREPTOMYCES CLAVULIGERUS STREPTOMYCES CLAVULIGERUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE LACTAMASE INHIBITOR ANBIOSYNTHESIS NADPH OXIDOREDUCTASE CLAVULANIC ACID
Ref.: CLAVULANIC ACID DEHYDROGENASE: STRUCTURAL AND BIOCH ANALYSIS OF THE FINAL STEP IN THE BIOSYNTHESIS OF T BETA-LACTAMASE INHIBITOR CLAVULANIC ACID BIOCHEMISTRY V. 46 1523 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:1248;
B:1248;
C:1248;
D:1248;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JAH 1.8 Å EC: 1.-.-.- BIOCHEMICAL AND STRUCTURAL ANALYSIS OF THE CLAVULANIC ACID DEHYDEOGENASE (CAD) FROM STREPTOMYCES CLAVULIGERUS STREPTOMYCES CLAVULIGERUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE LACTAMASE INHIBITOR ANBIOSYNTHESIS NADPH OXIDOREDUCTASE CLAVULANIC ACID
Ref.: CLAVULANIC ACID DEHYDROGENASE: STRUCTURAL AND BIOCH ANALYSIS OF THE FINAL STEP IN THE BIOSYNTHESIS OF T BETA-LACTAMASE INHIBITOR CLAVULANIC ACID BIOCHEMISTRY V. 46 1523 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2JAH - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2JAH - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2JAH - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JAH; Ligand: NDP; Similar sites found: 408
This union binding pocket(no: 1) in the query (biounit: 2jah.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4M38 SAH 0.003295 0.42491 None
2 4FGC PQ0 0.03628 0.4089 None
3 1ZQ9 SAM 0.01113 0.40786 None
4 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.0332 0.40546 None
5 5E8J SAH 0.002096 0.45329 0.809717
6 2F1K NAP 0.0003139 0.4504 0.809717
7 2VDV SAM 0.002946 0.44614 0.813008
8 4RPL 3UC 0.004554 0.42342 1.21457
9 4RPL FAD 0.005486 0.41815 1.21457
10 1QAN SAH 0.006514 0.40895 1.22951
11 3TLJ SAH 0.007855 0.40262 1.34048
12 2Q1S NAI 0.00002027 0.49917 1.61943
13 2I3G NAP 0.0003739 0.43466 1.61943
14 2Z9I GLY ALA THR VAL 0.02213 0.42012 1.61943
15 2EG5 SAH 0.01337 0.41429 1.61943
16 3P2E SAH 0.005573 0.41494 1.77778
17 3MJE NDP 0.0000000003994 0.65084 2.02429
18 1EK6 NAI 0.0000004409 0.57601 2.02429
19 1EK6 UPG 0.000002621 0.54719 2.02429
20 1RPN NDP 0.0000003287 0.51647 2.02429
21 4NEC SAH 0.001917 0.45076 2.02429
22 3V1Y NAD 0.001724 0.42097 2.02429
23 2CVZ NDP 0.002257 0.41631 2.02429
24 2HYV UAP SGN IDS SGN IDS 0.0302 0.41294 2.02429
25 1T26 NAI 0.003183 0.41247 2.17391
26 1HDO NAP 0.000006209 0.48519 2.42718
27 4TQG NDP 0.000000006954 0.59984 2.42915
28 4Q9N NAI 0.00000003175 0.58607 2.42915
29 1ORR NAD 0.00000005362 0.58182 2.42915
30 1V35 NAI 0.0000002658 0.49667 2.42915
31 2C29 NAP 0.000002299 0.4547 2.42915
32 1G55 SAH 0.0009893 0.45158 2.42915
33 5JE8 NAD 0.0005128 0.44529 2.42915
34 2C29 DQH 0.000006202 0.4426 2.42915
35 5IL1 SAM 0.003952 0.42833 2.42915
36 4OOE NDP 0.001177 0.42756 2.42915
37 5JWC FAD 0.001801 0.41438 2.42915
38 1H2B NAJ 0.001186 0.40756 2.42915
39 1EZ4 NAD 0.001182 0.40362 2.42915
40 5GM1 SAH 0.007486 0.4035 2.42915
41 1Z82 NDP 0.004154 0.40312 2.42915
42 1R6D NAD 0.000001427 0.55556 2.83401
43 3ORF NAD 0.0000005616 0.54934 2.83401
44 1R6D DAU 0.00000363 0.53818 2.83401
45 3MB5 SAM 0.0005331 0.45171 2.83401
46 5FTW SAH 0.001378 0.44143 2.83401
47 3SSO SAH 0.002768 0.42821 2.83401
48 1GV0 NAD 0.0005418 0.42535 2.83401
49 2IZ1 ATR 0.02478 0.41563 2.83401
50 1I8T FAD 0.002694 0.41222 2.83401
51 4J36 1HR 0.004081 0.40922 2.83401
52 5HJM MTA 0.009935 0.40697 2.83401
53 1G60 SAM 0.00994 0.40696 2.83401
54 5HSA FAS 0.004176 0.40691 2.83401
55 4J36 FAD 0.002604 0.40587 2.83401
56 1YY5 FAD 0.006052 0.40344 2.83401
57 1RSG FAD 0.005571 0.403 2.83401
58 1T9D P22 0.04374 0.40293 2.83401
59 5XVQ SAH 0.008155 0.40193 2.83401
60 3A25 SAM 0.01617 0.40046 2.83401
61 1LSS NAD 0.0002126 0.4094 2.85714
62 4HXY NDP 0.000000001983 0.63086 3.23887
63 1E7S NAP 0.0000003187 0.55082 3.23887
64 2Q1W NAD 0.000001297 0.51983 3.23887
65 3B1F NAD 0.0004111 0.46031 3.23887
66 1UXG NAD 0.0002439 0.45115 3.23887
67 1UDB NAD 0.000001052 0.43797 3.23887
68 1J5P NAD 0.0006354 0.43503 3.23887
69 3LST SAH 0.008143 0.42475 3.23887
70 1GUZ NAD 0.0008805 0.41538 3.23887
71 1LVL NAD 0.006187 0.41296 3.23887
72 4RLQ 3SK 0.0334 0.40928 3.23887
73 3VYW SAM 0.00762 0.409 3.23887
74 5H81 NAP 0.006553 0.40884 3.23887
75 1H82 GZZ 0.01234 0.40239 3.23887
76 2DBZ NAP 0.001957 0.40168 3.23887
77 1H82 FAD 0.01135 0.4005 3.23887
78 1SB8 UD2 0.0000001407 0.59461 3.64372
79 1SB8 NAD 0.0000001417 0.58912 3.64372
80 2YY7 NAD 0.00000007655 0.57185 3.64372
81 4ZRN NAD 0.00000008156 0.54891 3.64372
82 4ZRN UPG 0.0000006643 0.45087 3.64372
83 4XQC 13D 0.0004219 0.44877 3.64372
84 4XQC NAD 0.0004877 0.44525 3.64372
85 5T9F TYR 0.0004281 0.44056 3.64372
86 1SQF SAM 0.002315 0.43887 3.64372
87 5T9F NAP 0.0005612 0.43483 3.64372
88 1E1M FAD 0.003921 0.41763 3.64372
89 1O94 ADP 0.003486 0.41446 3.64372
90 4ONQ SFG 0.008239 0.41382 3.64372
91 5DN9 NAD 0.001725 0.4126 3.64372
92 4OBW SAM 0.01575 0.40099 3.64372
93 4Z28 BTN 0.01838 0.41492 3.73134
94 2DT5 NAD 0.002604 0.40839 3.79147
95 4RSL FAD 0.0004544 0.43832 4.04494
96 3KO8 NAD 0.0000000234 0.58282 4.04858
97 1GY8 NAD 0.00000106 0.52941 4.04858
98 2EXX NAP 0.00002805 0.46191 4.04858
99 3G89 SAM 0.002628 0.44854 4.04858
100 1P77 ATR 0.007276 0.44479 4.04858
101 2XYQ SAH 0.00435 0.42644 4.04858
102 2P41 SAH 0.004489 0.42581 4.04858
103 3A4T SFG 0.003718 0.41939 4.04858
104 2YX1 SFG 0.01059 0.41921 4.04858
105 1OC2 NAD 0.000002394 0.41513 4.04858
106 1OC2 TDX 0.000002394 0.41513 4.04858
107 1VKO NAD 0.0009719 0.41507 4.04858
108 2NAD NAD 0.001729 0.41505 4.04858
109 1D4D FAD 0.004704 0.40681 4.04858
110 5DOZ NDP 0.00292 0.40391 4.04858
111 1V59 FAD 0.007317 0.40107 4.04858
112 1YS4 NAP 0.00057 0.4006 4.04858
113 2BKA NDP 0.0000009163 0.52232 4.13223
114 1XFF GLU 0.01419 0.41673 4.16667
115 3OFK SAH 0.00983 0.41363 4.16667
116 5MX4 HPA 0.02982 0.40762 4.29185
117 2Q37 3AL 0.02627 0.41644 4.41989
118 4QTU SAM 0.001835 0.43964 4.44444
119 1BXK NAD 0.0000001031 0.55683 4.45344
120 1I2B NAD 0.0000119 0.51967 4.45344
121 1I2B USQ 0.007961 0.43358 4.45344
122 1I2B UPG 0.007961 0.43358 4.45344
123 9LDT NAD 0.0004059 0.43333 4.45344
124 9LDB NAD 0.0004377 0.43211 4.45344
125 5MDH NAD 0.0007605 0.43198 4.45344
126 4MDH NAD 0.001019 0.427 4.45344
127 3ZNN FAD 0.002788 0.42592 4.45344
128 1HDG NAD 0.002898 0.41482 4.45344
129 2IXB NAD 0.001543 0.41175 4.45344
130 2YVJ NAI 0.009796 0.4104 4.45344
131 3A06 NDP 0.002228 0.40966 4.45344
132 3A06 FOM 0.002865 0.40789 4.45344
133 3VPH NAD 0.001328 0.40608 4.45344
134 1X87 NAD 0.0005457 0.40551 4.45344
135 3UCL NAP 0.0159 0.40149 4.45344
136 4MO2 FDA 0.004795 0.40047 4.45344
137 1JG3 ADN 0.01486 0.40214 4.68085
138 5J6Y GLC 0.02493 0.4185 4.78723
139 5J6Y BGC 0.02493 0.4185 4.78723
140 1V6A TRE 0.0002905 0.52227 4.8583
141 2ZWA SAH 0.0007094 0.45017 4.8583
142 4DPL NAP 0.0006412 0.42882 4.8583
143 1HYE NAP 0.0003434 0.40918 4.8583
144 5T9E NAP 0.001132 0.40492 4.8583
145 3JV7 NAD 0.003292 0.40194 4.8583
146 3AB4 THR 0.03892 0.40182 5.05618
147 3QX9 ATP 0.04245 0.40367 5.07246
148 1WVG APR 0.0000001036 0.59485 5.26316
149 2GZ3 NAP 0.0002556 0.46142 5.26316
150 4GKV NAD 0.000441 0.41925 5.26316
151 2PV7 NAD 0.001637 0.41895 5.26316
152 4A6D SAM 0.007338 0.41284 5.26316
153 1Q8S MAN MMA 0.03283 0.41258 5.26316
154 3A27 SAM 0.01149 0.40724 5.26316
155 1Q8Q MAN MMA 0.04286 0.40559 5.26316
156 1HYH NAD 0.002322 0.40515 5.26316
157 1KOL NAD 0.00374 0.40348 5.26316
158 2B4R NAD 0.002626 0.40315 5.26316
159 4AT0 FAD 0.007474 0.40241 5.26316
160 1N2X SAM 0.008099 0.40205 5.26316
161 5MZI FYK 0.012 0.40158 5.26316
162 5MZI FAD 0.01242 0.40096 5.26316
163 5U8U FAD 0.01505 0.40071 5.26316
164 3DXY SAM 0.008455 0.4279 5.50459
165 2DC1 NAD 0.0004656 0.42178 5.50847
166 3OA2 NAD 0.002387 0.40984 5.66038
167 3LU1 NAD 0.000000009497 0.61141 5.66802
168 1RKX NAD 0.00000001312 0.60034 5.66802
169 4U7W NDP 0.00000003111 0.57162 5.66802
170 4GLL NAD 0.0000001112 0.56791 5.66802
171 3I6I NDP 0.00007587 0.42886 5.66802
172 1A8S PPI 0.01985 0.42535 5.66802
173 4DMG SAM 0.01453 0.41621 5.66802
174 3BAZ NAP 0.003011 0.41415 5.66802
175 3AD8 PYC 0.008522 0.41154 5.66802
176 3AD8 FAD 0.008522 0.41154 5.66802
177 3CIF NAD 0.001951 0.40297 5.66802
178 1JNR FAD 0.01722 0.40281 5.66802
179 2OBF SAH 0.006215 0.40115 5.66802
180 2OBF F83 0.006215 0.40115 5.66802
181 3T2W BTN 0.0279 0.40564 5.7377
182 4EUE NAI 0.00000009857 0.56986 6.07287
183 5MSO NAP 0.00000003915 0.56294 6.07287
184 1N7G NDP 0.000004047 0.55117 6.07287
185 1N7G GDR 0.000005516 0.53416 6.07287
186 4PVD NDP 0.0000003254 0.52897 6.07287
187 1O6Z NAD 0.0003102 0.45779 6.07287
188 5KKA 6V0 0.00033 0.43815 6.07287
189 5UAV NDP 0.001149 0.423 6.07287
190 5UAV TFB 0.001149 0.423 6.07287
191 3KB6 NAD 0.002394 0.41249 6.07287
192 4OPC FDA 0.01629 0.41241 6.07287
193 3G2O SAM 0.01117 0.4078 6.07287
194 3WLE NAD 0.001297 0.42099 6.15836
195 2E5V FAD 0.004122 0.40905 6.47773
196 2PWY SAH 0.0007968 0.40197 6.58915
197 1XXR MAN 0.03483 0.40595 6.8323
198 1KEW TYD 0.000002003 0.54612 6.88259
199 1KEW NAD 0.000005393 0.53017 6.88259
200 5JAQ NAI 0.000006131 0.51393 6.88259
201 1SOW NAD 0.001071 0.41903 6.88259
202 2CDU FAD 0.002077 0.41321 6.88259
203 2XVE FAD 0.008802 0.40775 6.88259
204 2XVF FAD 0.00473 0.40069 6.88259
205 1R18 SAH 0.01041 0.4002 6.88259
206 4RDH AMP 0.002195 0.44798 6.94444
207 5IN4 6CK 0.00003116 0.55201 7.28745
208 5IN4 NAP 0.00003179 0.55201 7.28745
209 5IN4 GDP 0.00003709 0.54778 7.28745
210 1Y1P NMN AMP PO4 0.000002518 0.48552 7.28745
211 2BH9 NAP 0.001099 0.46218 7.28745
212 1WP4 NDP 0.0003974 0.443 7.28745
213 3GGO ENO 0.0007681 0.43543 7.28745
214 3GGO NAI 0.0007681 0.43543 7.28745
215 4YCA NDP 0.001389 0.42471 7.28745
216 4YSX FAD 0.003108 0.41087 7.28745
217 1F8G NAD 0.007037 0.40751 7.28745
218 2Q0L NAP 0.018 0.40461 7.28745
219 2OOR NAD 0.009689 0.40155 7.28745
220 2G5C NAD 0.002525 0.40122 7.28745
221 2A92 NAI 0.003326 0.40062 7.28745
222 3MQ2 SAH 0.01229 0.40912 7.33945
223 2PZM NAD 0.00001408 0.50534 7.69231
224 2PZM UDP 0.00001408 0.50534 7.69231
225 1I0Z NAI 0.0004173 0.43588 7.69231
226 1NYT NAP 0.003768 0.4102 7.69231
227 5M67 NAD 0.008907 0.4002 7.69231
228 1E6E FAD 0.003461 0.40477 7.8125
229 2JJQ SAH 0.005561 0.43278 8.09717
230 1Y8Q ATP 0.002264 0.42534 8.09717
231 1LDN NAD 0.001076 0.41757 8.09717
232 3GXO SAH 0.01404 0.40974 8.09717
233 4II2 ATP 0.0009948 0.4476 8.43373
234 2UYQ SAM 0.0007384 0.5017 8.50202
235 1U1I NAD 0.0003833 0.42165 8.50202
236 3CMC NAD 0.005431 0.41963 8.50202
237 1NVM NAD 0.000991 0.41104 8.50202
238 1SAY PYR 0.002416 0.40834 8.50202
239 1RYI FAD 0.004216 0.40674 8.50202
240 2NU8 COA 0.004054 0.40618 8.50202
241 4PIV NDP 0.000006019 0.50135 8.90688
242 1UWK NAD 0.0001469 0.46781 8.90688
243 1ZMD NAI 0.002713 0.41599 8.90688
244 2C7G FAD 0.009936 0.40284 8.90688
245 2C7G ODP 0.009714 0.40252 8.90688
246 4O1M NAD 0.0000000533 0.57319 9.31174
247 1D7O NAD 0.000000692 0.5004 9.31174
248 1LDM NAD 0.0006722 0.42805 9.31174
249 5JJR SAH 0.008316 0.41364 9.7166
250 1X14 NAD 0.0125 0.40878 9.7166
251 1LLU NAD 0.001428 0.40157 9.7166
252 3GDH SAH 0.006558 0.40312 10.1215
253 3H9E NAD 0.005114 0.40216 10.1215
254 1R37 NAD 0.003641 0.40161 10.1215
255 2EJU SAH 0.01618 0.40045 10.1215
256 3B1J NAD 0.002269 0.40806 10.3245
257 3ABI NAD 0.00003972 0.4745 10.5263
258 2PXX SAH 0.002128 0.43678 11.6279
259 3OIG NAD 0.00000006858 0.559 11.7409
260 1CER NAD 0.0007731 0.43483 11.7409
261 1BW9 NAD 0.0008616 0.44656 12.1457
262 1E5Q NDP 0.0006365 0.43192 12.1457
263 1C1X NAD 0.001241 0.42665 12.1457
264 1BXG NAD 0.001135 0.40298 12.1457
265 1A5Z NAD 0.0002626 0.46863 12.5506
266 1MUU NAD 0.0016 0.42528 12.9555
267 1MV8 NAD 0.000827 0.41002 12.9555
268 2FR1 NDP 0.00000001154 0.59396 13.3603
269 2Q46 NAP 0.0000003027 0.55966 13.3603
270 1LTH NAD 0.0002191 0.46401 13.3603
271 1H9A NAP 0.0008575 0.42531 13.3603
272 3WQQ IB3 0.003322 0.41076 13.7652
273 2DFV NAD 0.001747 0.40134 13.7652
274 2VVM FAD 0.005346 0.40175 14.5749
275 2PKA BEN 0.01872 0.42357 15
276 3A4V NAD 0.00000001802 0.55765 15.3846
277 3A4V PYR 0.00000001802 0.55765 15.3846
278 4IF4 BEF 0.02551 0.41765 15.3846
279 2DKN NAI 0.0000000000004138 0.78508 15.7895
280 4M73 SAH 0.003595 0.40414 16.1943
281 2C5A NAD 0.0000001213 0.45387 16.5992
282 2C5A GDC 0.0000001213 0.45387 16.5992
283 1Z45 NAD 0.0000001827 0.56286 17.004
284 3H4V DVP 0.00000004449 0.60131 17.8138
285 3H4V NAP 0.0000001132 0.58393 17.8138
286 1KYQ NAD 0.001115 0.45747 18.2186
287 5L4S 6KX 0.00000000001769 0.72248 19.0283
288 5L4S NAP 0.00000000001769 0.72248 19.0283
289 3O26 NDP 0.00000000000575 0.71766 19.4332
290 5L53 NAP 0.00000000007366 0.62053 20.2429
291 3GFB NAD 0.001996 0.41559 20.2429
292 4OHU 2TK 0.00000024 0.58904 26.3158
293 4OHU NAD 0.00000024 0.58904 26.3158
294 1EQ2 NAP 0.000009268 0.49839 26.7206
295 2X6T NAP 0.000005751 0.50623 27.5304
296 4J1Q NDP 0.00000003023 0.57193 28.7449
297 3RFV NAI 0.0000005035 0.55627 29.1498
298 3RFV 15L 0.000005949 0.51891 29.1498
299 4D42 W0I 0.00000003589 0.61558 30.3644
300 4D42 NAP 0.00000003589 0.61558 30.3644
301 4FC7 NAP 0.0000000005988 0.67407 31.9838
302 4FC7 COA 0.0000000005988 0.67407 31.9838
303 3OJF IMJ 0.00000008329 0.58911 31.9838
304 3OJF NDP 0.00000006516 0.58259 31.9838
305 1WMA AB3 0.0000000001189 0.70334 32.3887
306 1WMA NDP 0.0000000001189 0.70334 32.3887
307 1N5D NDP 0.00000000004897 0.69064 32.3887
308 3RJ5 NAD 0.0000000001508 0.61052 32.7935
309 2WYV NAD 0.00001555 0.4899 33.1984
310 1ZBQ NAD 0.0000000009317 0.63318 33.6032
311 1QG6 TCL 0.0000001051 0.58835 34.413
312 1QG6 NAD 0.0000001051 0.58835 34.413
313 5CG1 NAD BBN 0.00000175 0.55955 34.413
314 1ZEM NAD 0.00000000008745 0.65078 34.8178
315 1GZ6 NAI 0.000000007148 0.61015 34.8178
316 3VZS NAP 0.0000000008672 0.54782 35.2227
317 3VZS CAA 0.000000008143 0.44771 35.2227
318 1U7T NAD 0.0000000000009728 0.77967 36.0324
319 1G0N PHH 0.000000000001592 0.77199 36.0324
320 1G0N NDP 0.000000000001461 0.76632 36.0324
321 2B4Q NAP 0.000000000003735 0.74015 36.0324
322 1U7T TDT 0.000000000002273 0.63634 36.0324
323 3O03 NAP 0.0000000004879 0.62769 36.0324
324 1PR9 NAP 0.0000000000008381 0.76224 36.0656
325 3D3W NAP 0.0000000000008716 0.7616 36.0656
326 3WXB NDP 0.000000000004339 0.72979 36.4372
327 1A27 NAP 0.000000000009456 0.70976 36.4372
328 2PD4 DCN 0.000000178 0.56606 36.4372
329 2PD4 NAD 0.0000001983 0.56429 36.4372
330 3HB5 NAP 0.0000000001532 0.54426 36.4372
331 1E3W NAD 0.0000000000001643 0.79144 37.247
332 1E6W NAD 0.0000000000002709 0.78323 37.247
333 2Q2V NAD 0.000000000001078 0.75814 37.247
334 1UZN NAP 0.000000003422 0.52419 37.247
335 2WSB NAD 0.0000000000006595 0.78446 37.6518
336 1OAA OAA 0.0000000001204 0.57727 37.6518
337 1XKQ NDP 0.0000000000002137 0.78452 38.0567
338 1XSE NDP 0.00000000001759 0.72939 38.0567
339 1H5Q NAP 0.000000000006225 0.72396 38.0567
340 2AE2 PTO 0.0000000000007231 0.78292 38.4615
341 2AE2 NAP 0.0000000000007231 0.78292 38.4615
342 1W8D NAP 0.00000000002513 0.75001 38.4615
343 1W73 NAP 0.00000000004028 0.74157 38.4615
344 4NBT NAD 0.00000000000006062 0.81715 38.75
345 4J7U NAP 0.0000000002316 0.69012 38.8664
346 4J7U YTZ 0.0000000002316 0.69012 38.8664
347 1Z6Z NAP 0.00000000009887 0.6727 38.8664
348 2DTX BMA 0.0000000000001994 0.80204 39.2713
349 1ZK4 NAP 0.00000000002229 0.71628 39.2713
350 3CH6 311 0.0000000003154 0.71235 39.2713
351 3CH6 NAP 0.0000000003154 0.71235 39.2713
352 1W6U NAP 0.00000000002564 0.65346 39.2713
353 1ZK4 AC0 0.0001104 0.53167 39.2713
354 1AE1 NAP 0.0000000000001941 0.78609 39.6761
355 1XHL NDP 0.0000000000001715 0.78509 39.6761
356 3AY6 NAI 0.0000000000005995 0.68881 39.6761
357 3AY6 BGC 0.000000000002767 0.57285 39.6761
358 4K26 NDP 0.0000000001435 0.67328 40.081
359 4K26 SFF 0.000000000239 0.59425 40.081
360 3AI3 SOL 0.01905 0.42243 40.081
361 1NFQ NAI 0.000000000000331 0.77442 40.4858
362 3ZV6 NAD 0.0000000000006577 0.65259 40.4858
363 3ZV6 4HB 0.0000000000007537 0.64245 40.4858
364 1FK8 NAD 0.000000000003245 0.77716 40.8907
365 1YXM ADE 0.00000002572 0.75902 40.8907
366 4ZA2 NAD 0.000000000008625 0.70425 40.8907
367 1O5I NAD 0.000000003707 0.55334 40.8907
368 3NUG NAD 0.000000000004097 0.73072 41.2955
369 2GDZ NAD 0.0000000000000322 0.79958 42.1053
370 1GEE NAD 0.0000000000007867 0.76572 42.5101
371 3OID NDP 0.00000000004678 0.69667 42.5101
372 2VZ0 NAP 0.000000507 0.59405 43.3198
373 2VZ0 D64 0.000000507 0.59405 43.3198
374 2WD7 NAP 0.00000002554 0.57921 43.3198
375 2BD0 NAP 0.000000000000005107 0.82314 43.4426
376 2CFC NAD 0.00000000000005274 0.81948 43.7247
377 1X1T NAD 0.000000000007105 0.69798 43.7247
378 4CM8 NAP 0.0000000163 0.60843 43.7247
379 4CM4 NAP 0.00000001774 0.60702 43.7247
380 3BMO NAP 0.00000001927 0.60564 43.7247
381 3BMQ NAP 0.0000000152 0.60368 43.7247
382 3JQ8 NAP 0.0000000173 0.60156 43.7247
383 3JQF NAP 0.0000000176 0.60128 43.7247
384 3JQA NAP 0.00000003634 0.60091 43.7247
385 3BMN NAP 0.00000001843 0.60053 43.7247
386 4CMI NAP 0.00000002812 0.59933 43.7247
387 4CM9 NAP 0.00000001074 0.59822 43.7247
388 3JQG NAP 0.00000004347 0.59786 43.7247
389 3JQB NAP 0.00000004955 0.59564 43.7247
390 3JQ7 NAP 0.00000005033 0.59538 43.7247
391 4CME NAP 0.00000002012 0.58299 43.7247
392 4CLO NAP 0.00000001538 0.58118 43.7247
393 4CLR NAP 0.00000002335 0.58063 43.7247
394 3JQ9 NAP 0.00000003951 0.57776 43.7247
395 3V1U NAD 0.000000000004991 0.68493 44.1296
396 3AFN NAP 0.000000000002137 0.74698 44.5344
397 3ICC NAP 0.000000000001263 0.73705 44.9393
398 4CQM NAP 0.0000000000005032 0.77306 45.082
399 3QWI CUE 0.000000000006466 0.74839 45.3441
400 3QWI NAP 0.000000000001929 0.74581 45.3441
401 4QED NAP 0.000000000007009 0.71438 45.3441
402 1GEG NAD 0.00000000000003708 0.8159 45.749
403 5ITV NAI 0.0000000000005074 0.76446 45.749
404 2ZAT NAP 0.00000000000536 0.71881 46.5587
405 3SJ7 NDP 0.000000000004764 0.71269 46.5587
406 1VL8 NAP 0.000000000001336 0.72461 47.3684
407 2RH4 EMO 0.0000000000002321 0.63192 48.1781
408 1Q7B NAP 0.00000000006044 0.69444 49.1803
Pocket No.: 2; Query (leader) PDB : 2JAH; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2jah.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2JAH; Ligand: NDP; 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: 2jah.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2JAH; Ligand: NDP; 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: 2jah.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback