Receptor
PDB id Resolution Class Description Source Keywords
2JAP 2.1 Å EC: 1.-.-.- CLAVULANIC ACID DEHYDROGENASE: STRUCTURAL AND BIOCHEMICAL ANALYSIS OF THE FINAL STEP IN THE BIOSYNTHESIS OF THE BETA-L ACTAMASE INHIBITOR CLAVULANIC ACID STREPTOMYCES CLAVULIGERUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE ANTIBIOBIOSYNTHESIS BETA-LACTAMASE INHIBITOR
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
J01 A:1249;
B:1249;
C:1249;
D:1249;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
199.161 C8 H9 N O5 C1[C@...
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
2JAP 2.1 Å EC: 1.-.-.- CLAVULANIC ACID DEHYDROGENASE: STRUCTURAL AND BIOCHEMICAL ANALYSIS OF THE FINAL STEP IN THE BIOSYNTHESIS OF THE BETA-L ACTAMASE INHIBITOR CLAVULANIC ACID STREPTOMYCES CLAVULIGERUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE ANTIBIOBIOSYNTHESIS BETA-LACTAMASE INHIBITOR
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 2JAP - 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 2JAP - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2JAP - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3RKR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3P19 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: J01; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 J01 1 1
Ligand no: 2; 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 : 2JAP; Ligand: J01; Similar sites found: 67
This union binding pocket(no: 1) in the query (biounit: 2jap.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OAR 2S0 0.003499 0.44079 None
2 1XIU REA 0.0157 0.40464 None
3 1U1W 3HA 0.01225 0.40589 1.21457
4 4NZN 2OU 0.04432 0.40846 1.61943
5 4NZN ANP 0.04432 0.40846 1.61943
6 1QV1 CZH 0.03545 0.40042 2.05128
7 1V35 NAI 0.03885 0.41158 2.42915
8 2RHW C0E 0.03321 0.40312 2.42915
9 1F06 2NP 0.04415 0.40209 2.42915
10 1F06 NDP 0.04415 0.40209 2.42915
11 5AAV GW5 0.01465 0.44339 3.23887
12 2NP9 YE1 0.028 0.41048 3.23887
13 4MGB XDH 0.01218 0.41009 3.23887
14 4MG7 27H 0.01426 0.40671 3.23887
15 5APK 76E 0.03113 0.40336 3.23887
16 2C29 DQH 0.008922 0.4479 3.64372
17 2C29 NAP 0.01054 0.44401 3.64372
18 1M2Z DEX 0.004476 0.43547 3.64372
19 5G5W R8C 0.01255 0.42245 3.64372
20 4P6X HCY 0.009085 0.42014 3.64372
21 5NGL NOJ BGC 0.006747 0.41119 4.04858
22 3IPQ 965 0.02613 0.40977 4.04858
23 2R40 EPH 0.02799 0.40576 4.04858
24 4NE2 SH2 0.04299 0.40371 4.04858
25 5K13 6Q7 0.01309 0.41393 4.47154
26 5L7G 6QE 0.00679 0.42994 4.8583
27 5CSD ACD 0.04851 0.40186 5.03145
28 2ZBA ZBA 0.01417 0.4028 6.07287
29 1FBY REA 0.004176 0.44226 6.27615
30 4POJ 2VP 0.01692 0.41148 6.49351
31 4M8E 29V 0.01698 0.40986 6.49351
32 1FM9 9CR 0.007677 0.42379 7.69231
33 3H0A 9RA 0.01624 0.40577 7.69231
34 4JAL SAH 0.01989 0.40137 7.78443
35 4WUP 3UF 0.03257 0.42207 8.50202
36 4PIV 2W4 0.01209 0.41025 8.90688
37 3V49 PK0 0.01318 0.4185 9.31174
38 1RDT L79 0.01289 0.41255 17.3913
39 3VZS CAA 0.0121 0.45466 36.4372
40 3VZS NAP 0.04918 0.40842 36.4372
41 1HDC CBO 0.004843 0.43376 36.8421
42 1U7T TDT 0.01903 0.42837 36.8421
43 1A27 EST 0.0004171 0.47981 37.6518
44 1G0N PHH 0.008548 0.44706 37.6518
45 1G0N NDP 0.01115 0.43798 37.6518
46 3O03 GCO 0.0002966 0.40303 37.6518
47 3HB5 E2B 0.0001438 0.40046 37.6518
48 3RJ5 NAD 0.006392 0.45084 38.0567
49 2WSB NAD 0.0002028 0.53277 38.4615
50 4J7U YTZ 0.0007655 0.5042 38.4615
51 4J7U NAP 0.0007655 0.5042 38.4615
52 1OAA OAA 0.001781 0.48555 39.2713
53 1XSE NDP 0.005277 0.45731 39.2713
54 1ZK4 NAP 0.003412 0.46312 40.081
55 2AE2 NAP 0.02769 0.41869 40.081
56 2AE2 PTO 0.02769 0.41869 40.081
57 2DTX BMA 0.02896 0.41674 40.081
58 3CH6 NAP 0.005077 0.47378 40.4858
59 3CH6 311 0.005077 0.47378 40.4858
60 4K26 SFF 0.003549 0.46547 41.2955
61 3AY6 NAI 0.01493 0.43023 41.2955
62 3AI3 SOL 0.005605 0.40966 41.2955
63 3ZV6 4HB 0.001189 0.49396 41.7004
64 3ZV6 NAD 0.001243 0.49187 41.7004
65 2CFC KPC 0.0004149 0.45141 44.9393
66 2BD0 BIO 0.00007138 0.42285 45.082
67 3QWI CUE 0.03342 0.41599 46.9636
Pocket No.: 2; Query (leader) PDB : 2JAP; Ligand: J01; 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: 2jap.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2JAP; 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: 2jap.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2JAP; Ligand: NDP; Similar sites found: 416
This union binding pocket(no: 4) in the query (biounit: 2jap.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F1K NAP 0.0001248 0.43853 0.809717
2 4L8V NAP 0.0009723 0.41601 1.21457
3 4RPL 3UC 0.01342 0.40397 1.21457
4 4RPL FAD 0.01474 0.40047 1.21457
5 5J6Y GLC 0.02485 0.42017 1.59574
6 5J6Y BGC 0.02485 0.42017 1.59574
7 3LU1 NAD 0.00000000623 0.60645 1.61943
8 2I3G NAP 0.0001022 0.4556 1.61943
9 4J4H NAI 0.004509 0.41024 1.61943
10 4J4H 1J1 0.004509 0.41024 1.61943
11 4JK3 NAD 0.001202 0.40398 1.61943
12 3MJE NDP 0.0000000001273 0.66899 2.02429
13 1EK6 NAI 0.0000002172 0.58834 2.02429
14 1EK6 UPG 0.0000009345 0.56524 2.02429
15 1RPN NDP 0.0000003144 0.51633 2.02429
16 4NEC SAH 0.003977 0.43575 2.02429
17 3V1Y NAD 0.000727 0.41286 2.02429
18 2VDV SAM 0.0123 0.41605 2.03252
19 1HDO NAP 0.000002269 0.5225 2.42718
20 4TQG NDP 0.000000004 0.60845 2.42915
21 4Q9N NAI 0.00000002911 0.58747 2.42915
22 1V35 NAI 0.0000001682 0.57728 2.42915
23 1ORR NAD 0.00000009132 0.57314 2.42915
24 1NNU TCT 0.004996 0.45654 2.42915
25 1NNU NAD 0.004996 0.45654 2.42915
26 1H2B NAJ 0.0003515 0.43854 2.42915
27 5JWC FAD 0.001722 0.41512 2.42915
28 1J0X NAD 0.002931 0.41484 2.42915
29 1EZ4 NAD 0.0005867 0.41395 2.42915
30 3SQP FAD 0.04855 0.40685 2.42915
31 1HKU NAD 0.002753 0.40239 2.42915
32 5FJN BE2 0.007083 0.40075 2.42915
33 1R6D NAD 0.0000006267 0.56989 2.83401
34 1R6D DAU 0.000001465 0.55394 2.83401
35 4RSL FAD 0.0004503 0.43847 2.83401
36 1G55 SAH 0.003485 0.42725 2.83401
37 1Q0H NDP 0.002991 0.41817 2.83401
38 1Q0H FOM 0.003293 0.41473 2.83401
39 4D3F NAP 0.0003178 0.40913 2.83401
40 4DSG UDP 0.00839 0.4086 2.83401
41 4DSG FAD 0.00839 0.4086 2.83401
42 5HSA FAS 0.004002 0.40762 2.83401
43 1YY5 FAD 0.005976 0.40365 2.83401
44 5BR7 FLC 0.01225 0.40252 2.83401
45 5BR7 FAD 0.01266 0.40193 2.83401
46 1RSG FAD 0.005953 0.40188 2.83401
47 4HXY NDP 0.0000000008541 0.64447 3.23887
48 1E7S NAP 0.0000003014 0.55172 3.23887
49 3ORF NAD 0.0000002385 0.54412 3.23887
50 2Q1W NAD 0.0000005599 0.54167 3.23887
51 1UXG NAD 0.00009181 0.46742 3.23887
52 4ZVV NAD 0.0007495 0.45059 3.23887
53 4ZVV GN0 0.0007495 0.45059 3.23887
54 1GV0 NAD 0.0001332 0.44776 3.23887
55 3B1F NAD 0.0001639 0.42061 3.23887
56 1J5P NAD 0.0005884 0.41733 3.23887
57 2DBZ NAP 0.001133 0.4105 3.23887
58 3TWO NDP 0.002906 0.4065 3.23887
59 1GAD NAD 0.00108 0.40643 3.23887
60 2ZXI FAD 0.003661 0.40495 3.23887
61 3LST SAH 0.02149 0.40424 3.23887
62 4R5M NAP 0.001817 0.40372 3.23887
63 4R5M 4NO 0.002654 0.40298 3.23887
64 1H82 FAD 0.009907 0.40289 3.23887
65 1H82 GZZ 0.012 0.40289 3.23887
66 1H6C SIN 0.00514 0.4014 3.23887
67 1HDR NAD 0.00004483 0.49139 3.27869
68 1SB8 UD2 0.0000001007 0.60043 3.64372
69 1SB8 NAD 0.0000001013 0.59488 3.64372
70 4ZRN NAD 0.00000004025 0.58853 3.64372
71 4ZRN UPG 0.0000003431 0.57528 3.64372
72 2C29 NAP 0.0000005962 0.55893 3.64372
73 2C29 DQH 0.000001669 0.54148 3.64372
74 4XQC 13D 0.0003446 0.45222 3.64372
75 4XQC NAD 0.0003684 0.45001 3.64372
76 5T9F TYR 0.0005629 0.43602 3.64372
77 1GUZ NAD 0.0002527 0.43434 3.64372
78 5T9F NAP 0.0008511 0.42795 3.64372
79 1E1M NAP 0.003905 0.4177 3.64372
80 1E1M FAD 0.003905 0.4177 3.64372
81 4J36 1HR 0.003161 0.41356 3.64372
82 1CF2 NAP 0.0007195 0.41192 3.64372
83 4J36 FAD 0.001846 0.41149 3.64372
84 1QO8 FAD 0.003633 0.41024 3.64372
85 3HDY FAD 0.01347 0.40082 3.64372
86 3HDY GDU 0.01401 0.40013 3.64372
87 2DT5 NAD 0.0006498 0.41939 3.79147
88 1OC2 NAD 0.0000007979 0.568 4.04858
89 1OC2 TDX 0.0000007979 0.568 4.04858
90 2YY7 NAD 0.0000001092 0.56612 4.04858
91 2EXX NAP 0.00005637 0.46989 4.04858
92 1YS4 NAP 0.0001735 0.41779 4.04858
93 3WGT FAD 0.00314 0.41733 4.04858
94 3WGT QSC 0.003361 0.41703 4.04858
95 5DN9 NAD 0.001532 0.41453 4.04858
96 2NAD NAD 0.001998 0.41267 4.04858
97 1VKO NAD 0.001201 0.41182 4.04858
98 5DOZ NDP 0.001195 0.40774 4.04858
99 4RLQ 3SK 0.03743 0.40661 4.04858
100 4G74 FAD 0.003283 0.40564 4.04858
101 3G5S FAD 0.003733 0.40463 4.04858
102 2BKA NDP 0.0000002315 0.54408 4.13223
103 1XFF GLU 0.009432 0.42554 4.16667
104 1RM0 NAI 0.0009385 0.43616 4.3152
105 1RM0 D6P 0.00143 0.43176 4.3152
106 4JNJ BTN 0.02586 0.40031 4.34783
107 2Q37 3AL 0.03612 0.40854 4.41989
108 1I2B NAD 0.000006202 0.53105 4.45344
109 9LDT NAD 0.000116 0.45356 4.45344
110 9LDB NAD 0.0001165 0.4535 4.45344
111 5MDH NAD 0.0001452 0.43793 4.45344
112 4MDH NAD 0.0001775 0.43492 4.45344
113 1HDG NAD 0.001194 0.43042 4.45344
114 1I2B UPG 0.01151 0.42647 4.45344
115 1I2B USQ 0.01151 0.42647 4.45344
116 3ZNN 4WL 0.003039 0.4244 4.45344
117 3ZNN FAD 0.003039 0.4244 4.45344
118 1NVM NAD 0.0008876 0.42069 4.45344
119 3A06 FOM 0.001471 0.41891 4.45344
120 3A06 NDP 0.001386 0.41744 4.45344
121 2A92 NAI 0.001335 0.41546 4.45344
122 2GSD NAD 0.001901 0.41348 4.45344
123 1X87 NAD 0.0003524 0.41183 4.45344
124 3UCL NAP 0.01564 0.40179 4.45344
125 3KO8 NAD 0.00000002108 0.5949 4.8583
126 1GY8 NAD 0.0000005173 0.54099 4.8583
127 4DPL NAP 0.0001725 0.44418 4.8583
128 3WLE NAD 0.0006438 0.43256 4.8583
129 1GTE FAD 0.007949 0.40956 4.8583
130 3QV1 NAD 0.0006516 0.40982 4.87805
131 4OOE FOM 0.002541 0.43826 4.9505
132 4OOE NDP 0.002541 0.43826 4.9505
133 1WVG APR 0.00000008839 0.54295 5.26316
134 2GZ3 NAP 0.0001134 0.47541 5.26316
135 4GKV NAD 0.0002078 0.44853 5.26316
136 1HYH NAD 0.0007389 0.42365 5.26316
137 1PL6 572 0.001141 0.418 5.26316
138 2B4R NAD 0.001145 0.41658 5.26316
139 1PL6 NAD 0.0001932 0.4109 5.26316
140 2PV7 NAD 0.00107 0.40926 5.26316
141 1V8B NAD 0.003076 0.40672 5.26316
142 5MZI FAD 0.0115 0.40233 5.26316
143 4AT0 FAD 0.0078 0.40168 5.26316
144 2B4R AES 0.002592 0.40121 5.26316
145 5MZI FYK 0.0128 0.40109 5.26316
146 2CVQ NDP 0.001229 0.40896 5.50459
147 3OA2 NAD 0.0007416 0.42937 5.66038
148 1RKX NAD 0.000000009639 0.60532 5.66802
149 4GLL NAD 0.00000003313 0.58756 5.66802
150 4U7W NDP 0.00000001062 0.58748 5.66802
151 3BAZ NAP 0.0009381 0.43467 5.66802
152 3CIF NAD 0.0006323 0.42079 5.66802
153 4DMG SAM 0.01472 0.41593 5.66802
154 3AD8 FAD 0.0108 0.40728 5.66802
155 3AD8 PYC 0.0108 0.40728 5.66802
156 1KOL NAD 0.003146 0.40635 5.66802
157 3CIF G3H 0.003273 0.40454 5.66802
158 5JCM ISD 0.0136 0.40253 5.66802
159 5JCM FAD 0.01314 0.40253 5.66802
160 5JCM NAD 0.0136 0.40253 5.66802
161 1DSS NAD 0.001344 0.4008 5.66802
162 1I0Z NAI 0.00008201 0.45566 5.70571
163 4EUE NAI 0.00000008221 0.57281 6.07287
164 5MSO NAP 0.00000003331 0.56515 6.07287
165 1N7G NDP 0.000002152 0.56254 6.07287
166 1N7G GDR 0.000002982 0.54492 6.07287
167 5KKA 6V0 0.0001087 0.45617 6.07287
168 5UAV NDP 0.0002524 0.44803 6.07287
169 5UAV TFB 0.0002524 0.44803 6.07287
170 1PZG A3D 0.0003438 0.4442 6.07287
171 1H9A NAP 0.0004528 0.43577 6.07287
172 1O6Z NAD 0.00009089 0.43333 6.07287
173 3VPH NAD 0.000507 0.43257 6.07287
174 3VPH OXM 0.001015 0.42381 6.07287
175 1YB5 NAP 0.001651 0.41457 6.07287
176 1JNR FAD 0.01324 0.40761 6.07287
177 3KB6 NAD 0.001792 0.40062 6.07287
178 2DC1 NAD 0.0003624 0.42614 6.35593
179 2Q1S NAI 0.000009019 0.51289 6.47773
180 1UWK NAD 0.0002632 0.45786 6.47773
181 1UWK URO 0.0002632 0.45786 6.47773
182 5JE8 NAD 0.0006756 0.44044 6.47773
183 2E5V FAD 0.002356 0.41855 6.47773
184 4YSX FAD 0.002879 0.41215 6.47773
185 1GR0 NAD 0.002179 0.41002 6.47773
186 1M2W NAD 0.006903 0.40498 6.47773
187 2XVF FAD 0.00469 0.40083 6.47773
188 5KAX RHQ 0.04487 0.40233 6.62651
189 1KEW TYD 0.0000006562 0.5654 6.88259
190 1KEW NAD 0.000001472 0.55266 6.88259
191 5JAQ NAI 0.000005454 0.51589 6.88259
192 3I6I NDP 0.0001559 0.4586 6.88259
193 1SOW NAD 0.0002259 0.4443 6.88259
194 2CDU FAD 0.002342 0.41123 6.88259
195 3OND ADN 0.006712 0.40426 6.88259
196 3OND NAD 0.006712 0.40426 6.88259
197 2NVK FAD 0.005159 0.40334 6.88259
198 5IN4 6CK 0.00001812 0.56272 7.28745
199 5IN4 NAP 0.00001849 0.56272 7.28745
200 5IN4 GDP 0.00001914 0.56082 7.28745
201 1Y1P NMN AMP PO4 0.0000005482 0.507 7.28745
202 3GGO NAI 0.0003455 0.44889 7.28745
203 3GGO ENO 0.0003455 0.44889 7.28745
204 1T26 NAI 0.0007508 0.43689 7.28745
205 2G5C NAD 0.001093 0.41443 7.28745
206 1YQZ FAD 0.006341 0.41288 7.28745
207 4AP3 NAP 0.008685 0.40798 7.28745
208 4AP3 FAD 0.008685 0.40798 7.28745
209 3L4S NAD 0.002253 0.40695 7.28745
210 3L4S 3PG 0.002437 0.40695 7.28745
211 1WDK NAD 0.0005632 0.40519 7.28745
212 2PZM NAD 0.00001236 0.50755 7.69231
213 2PZM UDP 0.00001236 0.50755 7.69231
214 1WP4 NDP 0.0005612 0.41842 7.69231
215 1P0F NAP 0.001415 0.41451 7.69231
216 5JY6 NAD 0.004556 0.41261 7.69231
217 4YCA NDP 0.003301 0.40973 7.69231
218 3JV7 NAD 0.002694 0.40524 7.69231
219 1E6E FAD 0.0036 0.40411 7.8125
220 2JJQ SAH 0.005518 0.43294 8.09717
221 1D1T NAD 0.001007 0.42003 8.09717
222 1R37 NAD 0.002104 0.4106 8.09717
223 4RQU NAD 0.001724 0.40455 8.09717
224 3CMC NAD 0.002243 0.43547 8.50202
225 2IXB A2G 0.0007387 0.4327 8.50202
226 1U1I NAD 0.0006465 0.42994 8.50202
227 2IXB NAD 0.0005352 0.42886 8.50202
228 1X7D ORN 0.00421 0.40263 8.50202
229 3HAD NAD 0.008015 0.40203 8.50202
230 2VHW NAI 0.0015 0.41859 8.75332
231 4PIV NDP 0.000002787 0.51379 8.90688
232 2JHF NAD 0.02166 0.41689 8.90688
233 3NJ4 AFX 0.01816 0.41623 8.90688
234 3NJ4 NAD 0.01851 0.41586 8.90688
235 2C7G FAD 0.009228 0.40414 8.90688
236 2C7G ODP 0.009201 0.40347 8.90688
237 3OFK SAH 0.01071 0.4119 9.25926
238 4O1M NAD 0.00000006001 0.57136 9.31174
239 1UDB NAD 0.0000005939 0.56838 9.31174
240 1LDM NAD 0.0001867 0.44276 9.31174
241 1LDN NAD 0.0003097 0.4377 9.31174
242 1UDB UFG 0.0065 0.43518 9.31174
243 4W6Z 8ID 0.002953 0.40739 9.31174
244 1D7O NAD 0.000000785 0.54506 9.7166
245 1LLU NAD 0.0007834 0.42679 9.7166
246 1D7O TCL 0.03285 0.4185 9.7166
247 2FZW NAD 0.002425 0.41806 9.7166
248 4PVD NDP 0.00000006926 0.55203 10.1215
249 1SAY PYR 0.00081 0.42624 10.1215
250 3B1J NAD 0.001127 0.41402 10.3245
251 3ABI NAD 0.00002662 0.47376 10.5263
252 1D4D FAD 0.004396 0.40796 10.5263
253 4MIG G3F 0.0082 0.40163 10.5263
254 2VVL FAD 0.006271 0.40004 10.5263
255 2BYC FMN 0.01623 0.41019 11.6788
256 3OIG NAD 0.00000002801 0.57267 11.7409
257 1CER NAD 0.0003896 0.44667 11.7409
258 4KP7 NAP 0.005832 0.40668 11.7409
259 4KP7 1UQ 0.00612 0.40234 11.7409
260 1E5Q NDP 0.0006553 0.42061 12.1457
261 2Q46 NAP 0.0000004503 0.53473 12.9555
262 1BW9 NAD 0.0006161 0.45279 12.9555
263 1C1X NAD 0.0008349 0.4335 12.9555
264 1BXG NAD 0.0008565 0.40782 12.9555
265 4MOP 2H5 0.008515 0.40333 12.9555
266 2FR1 NDP 0.00000000852 0.6096 13.3603
267 1LTH NAD 0.00004337 0.44662 13.3603
268 1U3U BNF 0.003048 0.41321 13.3603
269 1U3U NAD 0.003048 0.41321 13.3603
270 1MV8 NAD 0.001425 0.40118 13.3603
271 3WQQ IB3 0.002728 0.41408 13.7652
272 3WQQ NDP 0.002728 0.41408 13.7652
273 2XVE FAD 0.008002 0.40944 13.7652
274 5M67 ADE 0.00591 0.40729 14.17
275 5M67 3D1 0.006141 0.40663 14.17
276 5M67 NAD 0.006289 0.40622 14.17
277 2VVM FAD 0.005019 0.40281 14.5749
278 4OPC PGT 0.01883 0.41251 14.9798
279 4OPC FDA 0.01622 0.41248 14.9798
280 2DKN NAI 0.0000000000002539 0.75797 15.7895
281 3A4V NAD 0.00000002 0.60398 15.7895
282 3A4V PYR 0.00000002 0.60398 15.7895
283 1A5Z NAD 0.000226 0.41406 16.5992
284 2ZJ1 ARJ 0.005102 0.41146 16.5992
285 2ZJ1 NAD 0.005148 0.41131 16.5992
286 2C5A NAD 0.0000001623 0.59342 17.004
287 2C5A GDC 0.0000001623 0.59342 17.004
288 1Z45 NAD 0.00000005291 0.57281 17.004
289 1RYI FAD 0.004724 0.40482 17.8138
290 3H4V DVP 0.00000001794 0.61665 18.6235
291 3H4V NAP 0.00000004363 0.59999 18.6235
292 5L4S 6KX 0.00000000001012 0.73175 19.0283
293 5L4S NAP 0.00000000001012 0.73175 19.0283
294 3O26 NDP 0.000000000003124 0.72732 19.4332
295 5L53 NAP 0.00000000004057 0.62786 20.2429
296 1BXK NAD 0.00000005335 0.56713 22.6721
297 3GF4 UPG 0.01073 0.40288 25.5061
298 3GF4 FAD 0.01035 0.4014 25.5061
299 2GN4 NDP 0.00000007155 0.64564 27.1255
300 2GN4 UD1 0.0000001961 0.62881 27.1255
301 1EQ2 NAP 0.000002942 0.50854 27.1255
302 4OHU 2TK 0.00000008969 0.60627 27.9352
303 4OHU NAD 0.00000008969 0.60627 27.9352
304 2X6T NAP 0.000001781 0.51686 27.9352
305 2DFV NAD 0.0004506 0.42219 28.7449
306 3GFB NAD 0.0007481 0.43226 29.5547
307 1HYE NAP 0.0000961 0.42875 29.9595
308 3RFV NAI 0.0000001437 0.54688 30.3644
309 3RFV 15L 0.000005738 0.48586 30.3644
310 4D42 W0I 0.00000001961 0.62601 30.7692
311 4D42 NAP 0.00000001961 0.62601 30.7692
312 4J1Q NDP 0.00000002644 0.57372 31.5789
313 4FC7 COA 0.0000000003213 0.68459 32.7935
314 4FC7 NAP 0.0000000003213 0.68459 32.7935
315 3OJF IMJ 0.00000003903 0.60186 32.7935
316 3OJF NDP 0.00000003446 0.59307 32.7935
317 1WMA AB3 0.00000000007126 0.71201 33.1984
318 1WMA NDP 0.00000000007126 0.71201 33.1984
319 1N5D NDP 0.00000000002634 0.70066 33.1984
320 1FK8 NAD 0.000000000001506 0.70278 34.0081
321 2WYV NAD 0.000008454 0.49232 34.413
322 1ZBQ NAD 0.0000000004744 0.65647 34.8178
323 1QG6 TCL 0.00000006522 0.59643 35.2227
324 1QG6 NAD 0.00000006522 0.59643 35.2227
325 5CG1 NAD BBN 0.000001077 0.56815 35.2227
326 1ZEM NAD 0.00000000007454 0.65295 36.0324
327 1GZ6 NAI 0.000000006791 0.61098 36.0324
328 3VZS NAP 0.0000000007262 0.67447 36.4372
329 3VZS CAA 0.000000006912 0.66128 36.4372
330 1U7T TDT 0.000000000001766 0.77024 36.8421
331 1U7T NAD 0.0000000000003444 0.7437 36.8421
332 2B4Q NAP 0.000000000001791 0.73627 36.8421
333 4ZA2 NAD 0.00000000001015 0.70182 36.8421
334 1PR9 NAP 0.0000000000005056 0.77048 37.2951
335 3D3W NAP 0.0000000000005407 0.76939 37.2951
336 1G0N PHH 0.000000000001919 0.76885 37.6518
337 1G0N NDP 0.000000000001526 0.76561 37.6518
338 1A27 NAP 0.000000000007952 0.71249 37.6518
339 1Z6Z NAP 0.00000000004824 0.68398 37.6518
340 3O03 NAP 0.0000000002024 0.6406 37.6518
341 2PD4 DCN 0.0000000782 0.57959 37.6518
342 2PD4 NAD 0.00000008991 0.57729 37.6518
343 3HB5 NAP 0.00000000008255 0.55037 37.6518
344 1E6W NAD 0.0000000000002239 0.78635 38.0567
345 2Q2V NAD 0.000000000001109 0.75768 38.0567
346 3WXB NDP 0.000000000003397 0.73374 38.0567
347 3RJ5 NAD 0.0000000001032 0.69546 38.0567
348 2WSB NAD 0.0000000000005065 0.78889 38.4615
349 1H5Q NAP 0.000000000004722 0.72842 38.4615
350 4J7U YTZ 0.0000000001114 0.70249 38.4615
351 4J7U NAP 0.0000000001114 0.70249 38.4615
352 1UZN NAP 0.00000001382 0.50656 38.4615
353 1XSE NDP 0.000000000009586 0.73957 39.2713
354 1OAA OAA 0.00000000006606 0.71329 39.2713
355 1E3W NAD 0.0000000000001429 0.77578 39.6761
356 1W8D NAP 0.00000000001418 0.66144 39.6761
357 1W73 NAP 0.00000000002311 0.65498 39.6761
358 4NBT NAD 0.00000000000004874 0.7836 40
359 2DTX BMA 0.000000000000138 0.80819 40.081
360 2AE2 PTO 0.0000000000007015 0.78342 40.081
361 2AE2 NAP 0.0000000000007015 0.78342 40.081
362 1ZK4 NAP 0.00000000003048 0.71111 40.081
363 1ZK4 AC0 0.0002037 0.51943 40.081
364 1XKQ NDP 0.0000000000002929 0.77938 40.4858
365 3CH6 311 0.0000000001611 0.72426 40.4858
366 3CH6 NAP 0.0000000001611 0.72426 40.4858
367 1AE1 NAP 0.0000000000001804 0.78728 41.2955
368 1XHL NDP 0.0000000000002409 0.77957 41.2955
369 3AY6 NAI 0.0000000000006065 0.77842 41.2955
370 3AY6 BGC 0.000000000002922 0.77817 41.2955
371 1VL8 NAP 0.0000000000009931 0.72917 41.2955
372 4K26 SFF 0.0000000001512 0.69123 41.2955
373 4K26 NDP 0.00000000008004 0.68271 41.2955
374 3ZV6 NAD 0.0000000000006694 0.78657 41.7004
375 3ZV6 4HB 0.0000000000007671 0.78657 41.7004
376 1NFQ NAI 0.0000000000001648 0.78574 42.1053
377 1O5I NAD 0.000000003305 0.55501 42.5101
378 3NUG NAD 0.000000000002909 0.73625 42.915
379 1W6U NAP 0.00000000001581 0.66021 42.915
380 2GDZ NAD 0.00000000000003586 0.79783 43.3198
381 1GEE NAD 0.0000000000006366 0.7692 43.7247
382 3AFN NAP 0.000000000003218 0.74031 43.7247
383 2VZ0 D64 0.0000001572 0.61537 43.7247
384 2VZ0 NAP 0.0000001572 0.61537 43.7247
385 2WD7 NAP 0.000000008276 0.59668 43.7247
386 4CM9 NAP 0.000000004018 0.61375 44.1296
387 3BMQ NAP 0.000000005081 0.61021 44.1296
388 3JQ8 NAP 0.000000005222 0.60967 44.1296
389 3BMN NAP 0.000000005217 0.60963 44.1296
390 3JQF NAP 0.000000005422 0.6091 44.1296
391 4CM8 NAP 0.000000005232 0.60373 44.1296
392 4CM4 NAP 0.000000006206 0.60105 44.1296
393 3BMO NAP 0.000000006231 0.60102 44.1296
394 4CME NAP 0.000000006327 0.60098 44.1296
395 4CLR NAP 0.000000007471 0.59828 44.1296
396 4CLO NAP 0.000000005228 0.59775 44.1296
397 4CMI NAP 0.000000008989 0.59549 44.1296
398 3JQ9 NAP 0.00000001481 0.5933 44.1296
399 3JQA NAP 0.00000001133 0.58593 44.1296
400 3JQG NAP 0.0000000127 0.58394 44.1296
401 3JQ7 NAP 0.00000001499 0.58158 44.1296
402 3JQB NAP 0.00000001573 0.58088 44.1296
403 1X1T NAD 0.000000000005062 0.73292 44.5344
404 3OID NDP 0.00000000002682 0.70574 44.5344
405 2CFC NAD 0.00000000000002831 0.79145 44.9393
406 2BD0 NAP 0.00000000000000433 0.84474 45.082
407 3ICC NAP 0.0000000000005709 0.76557 45.3441
408 4CQM NAP 0.0000000000002932 0.76464 45.9016
409 4QED NAP 0.000000000005681 0.71772 46.1538
410 3V1U NAD 0.000000000003877 0.68887 46.1538
411 5ITV NAI 0.0000000000004806 0.76533 46.5587
412 3QWI CUE 0.00000000001616 0.73297 46.9636
413 3QWI NAP 0.000000000005093 0.73005 46.9636
414 1GEG NAD 0.0000000000000574 0.79028 47.7733
415 3SJ7 NDP 0.0000000000008096 0.74032 47.7733
416 2ZAT NAP 0.00000000000105 0.74469 48.1781
Pocket No.: 5; Query (leader) PDB : 2JAP; Ligand: J01; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2jap.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2JAP; Ligand: J01; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2jap.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2JAP; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2jap.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2JAP; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2jap.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback