Receptor
PDB id Resolution Class Description Source Keywords
2ZB3 2 Å EC: 1.3.1.48 CRYSTAL STRUCTURE OF MOUSE 15-KETOPROSTAGLANDIN DELTA-13- REDUCTASE IN COMPLEX WITH NADPH MUS MUSCULUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR CATALYTIC AND INHIBITORY MECHANISMS OF HUMAN PROSTAGLANDIN REDUCTASE PTGR2. STRUCTURE V. 16 1714 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:900;
Valid;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZB3 2 Å EC: 1.3.1.48 CRYSTAL STRUCTURE OF MOUSE 15-KETOPROSTAGLANDIN DELTA-13- REDUCTASE IN COMPLEX WITH NADPH MUS MUSCULUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR CATALYTIC AND INHIBITORY MECHANISMS OF HUMAN PROSTAGLANDIN REDUCTASE PTGR2. STRUCTURE V. 16 1714 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZB3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZB7 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 2ZB8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2ZB4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2ZB3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZB7 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 2ZB8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2ZB4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2ZB3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 4B7X - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1V3V - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 1V3T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 2DM6 ic50 = 97.9 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
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 : 2ZB3; Ligand: NDP; Similar sites found: 410
This union binding pocket(no: 1) in the query (biounit: 2zb3.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.0001011 0.56132 None
2 1UO5 PIH 0.0002685 0.55142 None
3 1BTN I3P 0.00777 0.47034 None
4 2QLX RM4 0.005762 0.44303 None
5 1NU4 MLA 0.03612 0.43005 None
6 3QP4 HL0 0.001196 0.42915 1.0989
7 2Q8H TF4 0.003744 0.46729 1.41643
8 1LLU NAD 0.000006817 0.47681 1.46199
9 1T26 GBD 0.00833 0.40767 1.5528
10 2IMP NAI 0.003881 0.41297 1.67015
11 1C1X NAD 0.000957 0.42823 1.69972
12 1KYZ SAH 0.001071 0.4223 1.69972
13 1BXG NAD 0.0009255 0.41641 1.69972
14 1BW9 NAD 0.004736 0.41223 1.69972
15 3U6W KIV 0.02989 0.41087 1.69972
16 4MP8 NAD 0.0004971 0.40041 1.76991
17 3CMC NAD 0.007045 0.41952 1.79641
18 1V6A TRE 0.004631 0.43522 1.80723
19 3LZW FAD 0.0002265 0.42359 1.80723
20 3NGL NAP 0.001002 0.44455 1.81159
21 1ECM TSA 0.0002481 0.47811 1.83486
22 2FEQ 34P 0.005534 0.40046 1.9305
23 1WRA PC 0.002324 0.46202 1.94805
24 4M5P MLA 0.00006394 0.57211 1.983
25 2F2U M77 0.000166 0.47886 1.983
26 1D1T NAD 0.00004124 0.45777 1.983
27 2VHW NAI 0.000372 0.44778 1.983
28 1RYI FAD 0.000234 0.42676 1.983
29 3ICT ADP 0.01398 0.41457 1.983
30 3B6Z CO7 0.002297 0.4118 1.983
31 4M5P 23W 0.04183 0.40657 1.983
32 3ICS ADP 0.02032 0.40653 1.983
33 2HW1 FRU 0.02805 0.41262 2.01342
34 1NVM NAD 0.0006956 0.41792 2.02899
35 2FR6 CTN 0.0006008 0.43124 2.05479
36 2FR6 URI 0.001115 0.42168 2.05479
37 2OFE NAG 0.005186 0.43887 2.11268
38 1F3L SAH 0.001357 0.40738 2.18069
39 3GJB AKG 0.001292 0.44797 2.19436
40 2B7N NTM 0.02024 0.40636 2.1978
41 1TDF NAP 0.0001337 0.45828 2.21519
42 1TDF FAD 0.00005412 0.45209 2.21519
43 3KMZ EQO 0.0007644 0.40183 2.25564
44 1S8F GDP 0.0001786 0.42077 2.25989
45 4RJK PYR 0.001719 0.47618 2.26629
46 4A0S NAP 0.0003727 0.46453 2.26629
47 2IZ1 ATR 0.005917 0.43621 2.26629
48 1Y42 TYR 0.00571 0.42577 2.26629
49 3T31 FAD 0.0009779 0.41907 2.26629
50 3T31 DCQ 0.001099 0.41907 2.26629
51 1GQ2 NAP 0.001565 0.41406 2.26629
52 2B5W NAP 0.000532 0.40663 2.26629
53 2P8B NSK 0.01261 0.40564 2.26629
54 1SQ5 PAU 0.01143 0.41263 2.27273
55 1SQ5 ADP 0.006275 0.41009 2.27273
56 2EV9 NAP 0.002985 0.4074 2.28137
57 2AHR NAP 0.0001042 0.41174 2.3166
58 3SHR CMP 0.006727 0.41319 2.34114
59 2ZYF AKG 0.01399 0.40433 2.35602
60 3B1F NAD 0.002519 0.42388 2.41379
61 3NFZ 3NF 0.006644 0.40911 2.44648
62 2IMF TOM 0.0009119 0.40604 2.46305
63 2IMF GSH 0.0009119 0.40604 2.46305
64 1F1V DHY 0.006914 0.41727 2.47678
65 1Q11 TYE 0.0004776 0.47258 2.54958
66 1PEA ACM 0.002626 0.46699 2.54958
67 2NCD ADP 0.003211 0.44236 2.54958
68 1H0C AOA 0.006583 0.44025 2.54958
69 2NVK NAP 0.003194 0.43674 2.54958
70 1KOL NAD 0.00007772 0.4317 2.54958
71 2GWD GLU 0.003671 0.42886 2.54958
72 1MOQ GLP 0.001835 0.41398 2.54958
73 1SAY PYR 0.0005436 0.40935 2.54958
74 2O4C NAD 0.00301 0.40596 2.54958
75 2C7G FAD 0.003141 0.40359 2.54958
76 2ZL4 ALA ALA ALA ALA 0.03929 0.40449 2.55102
77 4CS4 AXZ 0.0006366 0.4156 2.55474
78 2ORV 4TA 0.001207 0.40221 2.5641
79 1HYH NAD 0.0009808 0.41311 2.589
80 4PTZ FMN 0.003855 0.4062 2.6178
81 2EB5 OXL 0.007471 0.4315 2.62172
82 4ORR PE3 0.0003856 0.4142 2.63158
83 1ZX5 LFR 0.04621 0.40808 2.66667
84 1GEE NAD 0.0001513 0.40733 2.68199
85 4JK3 NAD 0.0003064 0.43409 2.7027
86 9LDT NAD 0.0005712 0.43373 2.71084
87 9LDB NAD 0.0005938 0.41895 2.71084
88 2Q37 3AL 0.003404 0.44123 2.76243
89 3WD1 ST7 0.0007356 0.41367 2.7833
90 1M0U GSH 0.02165 0.41721 2.81124
91 1PL6 NAD 0.00004936 0.50106 2.83286
92 1PL6 572 0.0002138 0.43211 2.83286
93 2XDQ MGX 0.02018 0.4291 2.83286
94 4LHM AZZ 0.01043 0.41937 2.83286
95 4BG1 IVL 0.001289 0.41172 2.83286
96 4BG1 OGA 0.001289 0.41172 2.83286
97 3LXI CAM 0.03028 0.41157 2.83286
98 3NKS FAD 0.0006064 0.40948 2.83286
99 3GTD MLI 0.01899 0.40761 2.83286
100 3V8S 0HD 0.01484 0.40614 2.83286
101 2V6O FAD 0.005786 0.40483 2.83286
102 1KBI PYR 0.0007537 0.40202 2.83286
103 1KBI FMN 0.0007537 0.40202 2.83286
104 1DCP HBI 0.02512 0.41807 2.88462
105 3MAG 3MA 0.006033 0.46497 2.9316
106 4OB6 S2T 0.0004611 0.44468 2.93255
107 3B1J NAD 0.002831 0.40003 2.94985
108 3ZF8 GDP 0.009038 0.40794 2.95082
109 1ZS6 ADP 0.01352 0.40496 2.95858
110 4JHG ZEA 0.005836 0.40332 2.97619
111 4PLG OXM 0.00009058 0.43426 2.99401
112 3KB6 NAD 0.0009037 0.42613 2.99401
113 1I0Z OXM 0.01048 0.444 3.003
114 1I0Z NAI 0.001036 0.4164 3.003
115 1B63 ANP 0.001845 0.40297 3.003
116 1LDM NAD 0.0006399 0.42425 3.03951
117 3E6J DR2 0.01837 0.43482 3.05677
118 4IMG NGF 0.001014 0.4191 3.07167
119 4ASJ N6A 0.0006796 0.41359 3.07167
120 2A92 NAI 0.001602 0.40141 3.11526
121 4DYO SD4 0.00009827 0.49503 3.11615
122 1YQD NAP 0.00002014 0.46627 3.11615
123 3TFC PEP 0.0007651 0.4637 3.11615
124 1YHM AHD 0.003166 0.44264 3.11615
125 1E3I CXF 0.00007761 0.43088 3.11615
126 2XVE FAD 0.0009206 0.42467 3.11615
127 2ZJF BSU 0.006724 0.4132 3.11615
128 3CIF NAD 0.002277 0.40786 3.11615
129 3CIF G3H 0.005214 0.40158 3.11615
130 1GR0 NAD 0.001051 0.40021 3.11615
131 1LTH NAD 0.00214 0.42043 3.1348
132 3GM5 CIT 0.002074 0.45736 3.14465
133 1J5P NAD 0.004084 0.40073 3.16206
134 2Y7G AAE 0.004505 0.40754 3.19149
135 4JWX 1N4 0.001489 0.45114 3.21429
136 2F1K NAP 0.003237 0.40736 3.22581
137 4COQ SAN 0.0005201 0.48524 3.23887
138 3I0O ADP 0.002885 0.42824 3.24484
139 3I0O SMI 0.008199 0.42407 3.24484
140 2HK9 ATR 0.003116 0.45136 3.27273
141 2HK9 NAP 0.003993 0.40376 3.27273
142 1VDC FAD 0.0006003 0.42041 3.3033
143 1J49 NAD 0.002871 0.40403 3.3033
144 1NYT NAP 0.003935 0.40676 3.32103
145 1QS8 IVA VAL VAL STA ALA STA 0.001607 0.40495 3.34347
146 1O6Z NAD 0.0005922 0.44322 3.39943
147 3A1I UNU 0.002222 0.43287 3.39943
148 2Z9V PXM 0.006209 0.42419 3.39943
149 4WB7 ATP 0.002796 0.42177 3.39943
150 5H81 NAP 0.01277 0.42064 3.39943
151 1WDA BAG 0.009814 0.41085 3.39943
152 4R33 TRP 0.0005015 0.40812 3.39943
153 4R33 SAH 0.0005015 0.40812 3.39943
154 5FI3 NAP 0.01094 0.40666 3.39943
155 1XIU REA 0.002424 0.41356 3.47826
156 1LUA NAP 0.004743 0.41535 3.48432
157 1Y2W NAG 0.01493 0.41748 3.52113
158 4MGA 27L 0.03071 0.40748 3.52941
159 4MDH NAD 0.0005691 0.43391 3.59281
160 3BAZ NAP 0.0002429 0.4553 3.6036
161 5MDH NAD 0.0004227 0.43891 3.6036
162 4NAO AKG 0.0009622 0.48044 3.68098
163 2YVF NAD 0.0009974 0.42353 3.68272
164 2YVF FAD 0.0009455 0.42353 3.68272
165 1YS4 NAP 0.005167 0.41063 3.68272
166 1E5F PLP 0.00441 0.40789 3.68272
167 2D2I NAP 0.004734 0.40632 3.68272
168 3DGB MUC 0.009944 0.40214 3.68272
169 3P3N AKG 0.002947 0.45027 3.72493
170 2WA4 069 0.006525 0.40942 3.72493
171 3R51 MMA 0.004476 0.46325 3.75
172 1E4E PHY 0.001468 0.42582 3.79009
173 1E4E ADP 0.003732 0.40301 3.79009
174 1EB9 HBA 0.00861 0.40463 3.81679
175 3D2Y AH0 ALA FGA LYS 0.001197 0.42059 3.83142
176 4DN8 BMA 0.03482 0.40022 3.84615
177 1GV0 NAD 0.0005512 0.42683 3.87097
178 4E5N NAD 0.0006502 0.41954 3.93939
179 1CKM GTP 0.01098 0.40878 3.93939
180 2Q1A 2KT 0.0007939 0.47671 3.96601
181 2Q28 ADP 0.0003606 0.43467 3.96601
182 1CY2 TMP 0.01329 0.41962 3.96601
183 1L3I SAH 0.0004025 0.41019 3.96601
184 3Q9T FAY 0.0007295 0.40826 3.96601
185 1C0I BE2 0.002037 0.40193 3.96601
186 1C0I FAD 0.002037 0.40193 3.96601
187 2E1A MSE 0.001696 0.44299 4
188 1OYB FMN 0.0004087 0.4207 4
189 1OYB HBA 0.0007675 0.40178 4
190 1KYQ NAD 0.01686 0.40027 4.0146
191 1GU3 BGC BGC BGC BGC BGC 0.00811 0.41914 4.02685
192 2IYG FMN 0.002422 0.42651 4.03226
193 1ZZ7 S0H 0.01086 0.4136 4.0404
194 1P77 ATR 0.01925 0.41975 4.04412
195 1EZ4 NAD 0.0002715 0.4498 4.08805
196 1YRX FMN 0.005096 0.40949 4.13223
197 1Y9Q MED 0.02241 0.40922 4.16667
198 4L7I SAM 0.001751 0.41872 4.1769
199 2QCX PF1 0.007633 0.42546 4.18251
200 1DBT U5P 0.003558 0.40375 4.1841
201 2DBZ NAP 0.0005031 0.43284 4.19162
202 2WMO GTP 0.008877 0.40018 4.21053
203 4WVH ASP HIS ASP ALA HIS ALA 0.003762 0.42842 4.24929
204 3JQ3 ADP 0.006454 0.41393 4.24929
205 2QF7 COA 0.005029 0.40972 4.24929
206 2WDQ TEO 0.04374 0.40064 4.24929
207 2HJR APR 0.001397 0.43129 4.26829
208 1V7R CIT 0.03555 0.42285 4.30108
209 3TKA CTN 0.001659 0.52195 4.32277
210 1F5F DHT 0.005219 0.40139 4.39024
211 3WLE NAD 0.0000233 0.44925 4.39883
212 3K3G MMU 0.005366 0.4296 4.41176
213 2WCI GSH 0.009474 0.42124 4.44444
214 2QV7 ADP 0.002293 0.41856 4.45104
215 3E5H GNP 0.001225 0.40201 4.49438
216 1GJW GLC 0.002387 0.46146 4.53258
217 3QV9 QV7 0.002095 0.45069 4.53258
218 4KCT PYR 0.005202 0.42249 4.53258
219 3CQ5 PMP 0.006438 0.41858 4.53258
220 1GJW MAL 0.00514 0.41798 4.53258
221 1SOW NAD 0.0009876 0.40922 4.57317
222 1SS4 GSH 0.000005606 0.66128 4.57516
223 1SS4 CIT 0.006457 0.50104 4.57516
224 3WBF NAP 0.002097 0.40922 4.59016
225 1W3R PYR 0.03801 0.40868 4.62963
226 4FR3 LYS ARG ARG LYS SEP VAL 0.00481 0.40573 4.70085
227 2YLD CMO 0.0007154 0.47881 4.72441
228 1RZM E4P 0.003398 0.45408 4.73373
229 1RZM PEP 0.006493 0.42334 4.73373
230 3BRE C2E 0.01846 0.41316 4.7486
231 3BHO B4P 0.01738 0.43993 4.81586
232 1C7S CBS 0.007045 0.40809 4.81586
233 1CER NAD 0.001328 0.42262 4.83384
234 1GUZ NAD 0.0006857 0.42772 4.83871
235 3QDT A2G GAL 0.01078 0.43629 4.8951
236 3QDY A2G GAL 0.01468 0.42956 4.8951
237 3QDY CBS 0.01809 0.41903 4.8951
238 1XE7 GUN 0.00286 0.47338 4.92611
239 1I2B USQ 0.0009363 0.41967 4.9505
240 1I2B UPG 0.0009363 0.41967 4.9505
241 4B9E FAH 0.00566 0.44341 4.98339
242 2AE2 NAP 0.0002136 0.42679 5
243 2AE2 PTO 0.0002136 0.42679 5
244 1LSS NAD 0.003082 0.42346 5
245 4K30 NLG 0.02035 0.40168 5
246 2ZWS PLM 0.002275 0.49868 5.09915
247 3WE0 FAD 0.00002172 0.46087 5.09915
248 4M51 BEZ 0.004576 0.45493 5.09915
249 3E5P PPI 0.04083 0.44419 5.09915
250 2VDJ HSE 0.008718 0.44092 5.09915
251 3ZGE ASP 0.01809 0.41072 5.09915
252 1QO0 BMD 0.001345 0.4661 5.10204
253 3GX0 GDS 0.003115 0.4022 5.11628
254 1O9U ADZ 0.006292 0.45555 5.14286
255 1GAD NAD 0.002077 0.40315 5.15152
256 2JFV FLC 0.01129 0.42313 5.15464
257 3RF4 FUN 0.004088 0.43208 5.17241
258 5RHN 8BR 0.000612 0.44007 5.21739
259 1B5E DCM 0.01331 0.40526 5.28455
260 1DR1 NAP 0.00007505 0.43672 5.29101
261 1DR1 HBI 0.00007505 0.43672 5.29101
262 2QTR NXX 0.0001768 0.4064 5.29101
263 3ZPG 5GP 0.005791 0.45743 5.38244
264 2Q09 DI6 0.003811 0.42818 5.38244
265 1E5Q NDP 0.001088 0.42008 5.38244
266 2C2A ADP 0.0006588 0.43423 5.42636
267 1SQL GUN 0.03183 0.40717 5.47945
268 3H9E NAD 0.001172 0.42476 5.49133
269 2Y7P SAL 0.001226 0.45481 5.50459
270 2CVQ NDP 0.001892 0.41092 5.50459
271 4K28 NAD 0.001702 0.42138 5.57621
272 4N02 FNR 0.00118 0.41477 5.60224
273 3BY8 MLT 0.03386 0.40674 5.6338
274 2GCG NDP 0.0006385 0.42889 5.66572
275 1X7D NAD 0.0009233 0.4228 5.66572
276 3GFB NAD 0.0001976 0.4517 5.71429
277 1HDR NAD 0.002778 0.40041 5.7377
278 2DFV NAD 0.00004921 0.47508 5.76369
279 2YBQ UP2 0.001064 0.40095 5.82192
280 1C1L GAL BGC 0.009889 0.43172 5.83942
281 3V1Y NAD 0.002333 0.41297 5.93472
282 4RPM HXC 0.006735 0.47185 5.94901
283 1U5R ATP 0.0002547 0.45435 5.94901
284 4CCO OGA 0.004908 0.42863 5.94901
285 3SIX GDP 0.004683 0.41514 5.94901
286 2RHQ GAX 0.00139 0.40702 5.94901
287 1L2T ATP 0.0001338 0.40305 5.94901
288 1ULE GLA GAL NAG 0.001369 0.46573 6
289 1Y1A GSH 0.005414 0.47736 6.01093
290 1FW1 GSH 0.002691 0.4202 6.01852
291 1B8U NAD 0.0005569 0.45558 6.07903
292 1XX4 BAM 0.003964 0.43541 6.13027
293 1TUV VK3 0.009351 0.44658 6.14035
294 2BOI MFU 0.001576 0.45007 6.19469
295 2JBH 5GP 0.0008673 0.45525 6.22222
296 1DRV A3D 0.002618 0.42316 6.22711
297 3UEC ALA ARG TPO LYS 0.002633 0.45941 6.23229
298 1T10 F6P 0.01087 0.41855 6.23229
299 1NVT NAP 0.001445 0.40309 6.27178
300 4JGT PYR 0.03783 0.41587 6.35452
301 2F59 INI 0.001085 0.42211 6.36943
302 1QDS PGA 0.01162 0.40346 6.3745
303 1N9L FMN 0.002836 0.40726 6.42202
304 3HB5 E2B 0.001387 0.40031 6.42202
305 1EYE PMM 0.003338 0.42099 6.42857
306 4W6Z 8ID 0.00000006269 0.59598 6.51558
307 4C6F NCD 0.006032 0.41513 6.51558
308 4C6F DOR 0.006032 0.41513 6.51558
309 2C5S AMP 0.0124 0.40656 6.51558
310 3P7I P7I 0.003867 0.43313 6.54206
311 3F81 STT 0.001988 0.48159 6.55738
312 2ZO9 MLI 0.009933 0.40417 6.56934
313 4F4S EFO 0.005564 0.42626 6.57895
314 3CF6 SP1 0.003564 0.41136 6.58683
315 1HDG NAD 0.002953 0.41177 6.62651
316 1LDN NAD 0.0009143 0.42587 6.64557
317 2O66 FLC 0.01412 0.41342 6.66667
318 2ZSC BTN 0.003375 0.4164 6.79887
319 1DSS NAD 0.001028 0.43016 6.90691
320 1SJW NGV 0.005721 0.40364 6.94444
321 1VI2 NAD 0.003947 0.41559 7
322 4DQ2 BTX 0.0002685 0.40869 7.0122
323 3I51 45C 0.0004935 0.45391 7.03704
324 3FPZ AHZ 0.008871 0.40078 7.05521
325 4E28 9MZ 0.002719 0.4519 7.07692
326 4E28 0MZ 0.02538 0.4019 7.07692
327 4N7C AEF 0.006475 0.44059 7.08215
328 2VPR TDC 0.006584 0.40135 7.24638
329 2Y6P CTP 0.00406 0.42217 7.26496
330 1A27 EST 0.004606 0.40718 7.26644
331 3W8S GSH 0.01067 0.41892 7.28155
332 1CDO NAD 0.00002333 0.4918 7.36544
333 1HYE NAP 0.002046 0.4244 7.36544
334 1H8G CHT 0.003591 0.4874 7.36842
335 1I2L DCS 0.003441 0.4007 7.43494
336 3TWO NDP 0.000004511 0.4776 7.47126
337 1ZJ6 G3D 0.001431 0.43558 7.48663
338 3LTW HLZ 0.004744 0.44067 7.5
339 4F8L GAL 0.01658 0.4495 7.58621
340 2ALG DAO 0.00004315 0.40866 7.6087
341 2ALG HP6 0.009271 0.40273 7.6087
342 3S9K CIT 0.002729 0.50955 7.62712
343 4P4T GDP 0.001561 0.41649 7.64873
344 1ZK7 FAD 0.0008756 0.41334 7.64873
345 3PC3 P1T 0.002542 0.40175 7.64873
346 1RP0 AHZ 0.003892 0.40817 7.74648
347 4RQU NAD 0.00008185 0.46286 7.93201
348 1HKU NAD 0.0006636 0.41903 7.93201
349 4AT0 FAD 0.0006893 0.41853 7.93201
350 3ABI NAD 0.0000775 0.4582 8.2153
351 4BVA T3 0.0002024 0.46074 8.35821
352 4BVA NDP 0.0001357 0.45773 8.35821
353 3DG6 MUC 0.0004711 0.44938 8.49858
354 3PLN U5P 0.01292 0.41032 8.49858
355 4O8A FAD 0.0003409 0.4088 8.49858
356 1TIW FAD 0.0009007 0.4055 8.49858
357 1TIW TFB 0.0009007 0.4055 8.49858
358 1OMO NAD 0.000321 0.45408 8.69565
359 3EW2 BTN 0.01088 0.40896 8.88889
360 1G8S MET 0.0005235 0.4851 9.13043
361 4JP3 CIT 0.002797 0.42403 9.34844
362 1EBF NAD 0.001203 0.4058 9.49721
363 3F8C HT1 0.0007837 0.46984 9.52381
364 1F8F NAD 0.000004831 0.52354 9.63173
365 1YKF NAP 0.0002076 0.44229 9.65909
366 4EXO PYR 0.03995 0.40758 10.274
367 1T0S BML 0.0001824 0.52481 10.303
368 1LQY BB2 0.01506 0.40254 10.3261
369 2NAD NAD 0.001468 0.42315 10.4816
370 2OAT PFM 0.005311 0.40111 10.4816
371 3I8P 840 0.00456 0.40734 10.5386
372 4JCA CIT 0.0098 0.4535 10.7784
373 3W6X HZP 0.02965 0.40735 10.917
374 1G0N PHH 0.001238 0.40462 10.9541
375 1G0N NDP 0.00107 0.40324 10.9541
376 3JV7 NAD 0.00002892 0.47453 11.3043
377 1YRO UDP 0.03043 0.4198 11.3821
378 1JH7 UVC 0.01623 0.4107 11.6402
379 1EXB NDP 0.002035 0.41882 11.6505
380 4NTX AMR 0.02334 0.40127 11.6667
381 4GKV NAD 0.00001666 0.46429 11.9048
382 1KEV NDP 0.00009635 0.43494 11.9658
383 1P0F NAP 0.00005351 0.45461 12.1813
384 1U3U BNF 0.000091 0.40998 12.4646
385 1YOA FMN 0.03508 0.43078 12.5786
386 3VPH NAD 0.001015 0.40383 12.5806
387 1O0S NAI 0.003001 0.41747 13.3144
388 2VBQ BSJ 0.0008431 0.40145 13.3333
389 3KMT SAH 0.005473 0.4083 13.4454
390 4IDC 1XX 0.000001921 0.53248 13.5542
391 3SJ0 DXC 0.01088 0.42971 14.0845
392 1Y75 NAG 0.009024 0.41239 14.4068
393 2J8Z NAP 0.00000009071 0.57537 14.7309
394 2I3G NAP 0.001179 0.40984 15.0142
395 4RVU NDP 0.00006321 0.4861 15.9639
396 2V5E SCR 0.006803 0.46213 16
397 3JYN NDP 0.0000000003014 0.6303 16.3077
398 1YB5 NAP 0.000001793 0.49479 16.8091
399 3KJQ B94 0.002859 0.42366 16.8421
400 2H92 C5P 0.02354 0.40337 18.2648
401 3QV1 NAD 0.001574 0.41971 18.2927
402 2ZJ5 ADP 0.001988 0.45171 18.4136
403 3KPE TM3 0.01851 0.41311 23.0769
404 3QWB NDP 0.0000000003441 0.64627 23.796
405 1H2B NAJ 0.00001706 0.46701 24.3626
406 2DT5 NAD 0.0002298 0.4458 24.6446
407 1R37 NAD 0.00001199 0.50325 25.3602
408 5DOZ NDP 0.00757 0.40685 26.9231
409 1N9G NAP 0.000000721 0.55667 40.4145
410 4GQB 0XU 0.001059 0.41627 40.9091
Pocket No.: 2; Query (leader) PDB : 2ZB3; Ligand: NDP; Similar sites found: 29
This union binding pocket(no: 2) in the query (biounit: 2zb3.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1J0X NAD 0.003676 0.4159 1.80723
2 5TH5 MET 0.03331 0.40905 1.90114
3 3OND ADN 0.0007584 0.44751 2.2541
4 2EV9 SKM 0.002985 0.4074 2.28137
5 4WNP 3RJ 0.01933 0.40407 2.43902
6 3GGO ENO 0.003596 0.41435 2.54777
7 3NJ4 AFX 0.005738 0.44302 2.54958
8 3NJ4 NAD 0.005819 0.44274 2.54958
9 4J4H 1J1 0.0003604 0.45969 2.7027
10 4J4H NAI 0.00447 0.45776 2.7027
11 5VKT NAP 0.000002296 0.52392 2.83286
12 5DN9 NAD 0.0008141 0.43057 2.83286
13 5GZ6 NDP 0.007809 0.40597 3.11615
14 5M67 NAD 0.0008341 0.44676 3.68272
15 5M67 ADE 0.0009077 0.44526 3.68272
16 5M67 3D1 0.0009909 0.4437 3.68272
17 5UAV TFB 0.004525 0.404 5.66572
18 5UAV NDP 0.005006 0.40112 5.66572
19 5LD5 NAD 0.003987 0.41233 5.94901
20 4ZBY URA 0.03942 0.40044 7.2165
21 2CDC NAP 0.01582 0.40393 8.2153
22 4JBI NDP 0.000005349 0.4956 9.63173
23 2JHF NAD 0.0006882 0.48974 12.1813
24 1U3U NAD 0.000091 0.40998 12.4646
25 1F06 2NP 0.003008 0.40976 13.4375
26 4IDC NDP 0.000001921 0.53248 13.5542
27 4WAS NAP 0.00000241 0.53374 23.2295
28 4WAS COO 0.000005207 0.5206 23.2295
29 5DP2 NAP 0.0000008058 0.53481 25.4958
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