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Receptor
PDB id Resolution Class Description Source Keywords
2BP1 2.4 Å EC: 1.-.-.- STRUCTURE OF THE AFLATOXIN ALDEHYDE REDUCTASE IN COMPLEX WIT HOMO SAPIENS OXIDOREDUCTASE ALDO-KETO REDUCTASE FAMILY 7 SSA REDUCTASEBARREL
Ref.: STRUCTURE OF THE AFLATOXIN ALDEHYDE REDUCTASE IN CO WITH NADPH TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC A:1362;
B:1362;
C:1362;
D:1362;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
NDP A:1361;
B:1361;
C:1361;
D:1361;
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
2BP1 2.4 Å EC: 1.-.-.- STRUCTURE OF THE AFLATOXIN ALDEHYDE REDUCTASE IN COMPLEX WIT HOMO SAPIENS OXIDOREDUCTASE ALDO-KETO REDUCTASE FAMILY 7 SSA REDUCTASEBARREL
Ref.: STRUCTURE OF THE AFLATOXIN ALDEHYDE REDUCTASE IN CO WITH NADPH TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 2BP1 - NDP C21 H30 N7 O17 P3 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 280 families.
1 2C91 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2BP1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1GVE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2C91 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2BP1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1GVE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Ligand no: 2; Ligand: NDP; Similar ligands found: 172
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 1DG 0.68 1
8 DG1 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 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BP1; Ligand: NDP; Similar sites found with APoc: 134
This union binding pocket(no: 1) in the query (biounit: 2bp1.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 2AL2 PEP 1.94444
2 2AL2 2PG 1.94444
3 3B0P FMN 2
4 1QPR PPC 2.11268
5 3EWA ANP 2.17391
6 5MRH Q9Z 2.22222
7 6CIB ADP 2.22222
8 5KJW 53C 2.22222
9 4BI7 PGA 2.33463
10 2Q8Z NUP 2.33918
11 1QDS PGA 2.39044
12 1M5W DXP 2.46914
13 1UTJ ABN 2.47934
14 5FJJ MAN 2.5
15 2I56 RNS 2.5
16 1P77 ATR 2.57353
17 5AGR A52 2.58621
18 1QH9 LAC 2.58621
19 3ESS 18N 2.6087
20 5CSS G3P 2.65487
21 1W8S FBP 2.6616
22 4NAE 1GP 2.66667
23 4I9A NCN 2.77778
24 1TRD PGH 2.8
25 5LNW HG3 2.8481
26 5LNW RP5 2.8481
27 4JEJ 1GP 2.86885
28 3OCP CMP 2.8777
29 2F6U CIT 2.99145
30 1WLJ U5P 3.1746
31 5EYW PGA 3.21285
32 5YJS SAL 3.33333
33 5BXA MAN 3.33333
34 4KRG OPE 3.33333
35 1FDJ 13P 3.33333
36 4FMS BDP 3.33333
37 5JIL 6KL 3.33333
38 5A04 BGC 3.53982
39 3HQP FDP 3.61111
40 3SJK LYS PRO VAL LEU ARG THR ALA 3.68421
41 3ITA AIC 3.69318
42 1Q6O LG6 3.7037
43 4EIL FOL 3.88889
44 3AI8 HNQ 3.90625
45 4UTU LRY 3.93013
46 4YMZ 13P 3.98406
47 4K47 WMP 4.16667
48 1PVC ILE SER GLU VAL 4.20168
49 3UWV 2PG 4.21456
50 2OFE NAG 4.22535
51 4Z2S NAG 4.22535
52 4Z2S NDG 4.22535
53 5NNS AKR 4.44444
54 2HK9 ATR 4.44444
55 2ZQ0 ACR 4.44444
56 5DZ2 212 4.44444
57 1AMU AMP 4.44444
58 5TCI MLI 4.44444
59 3EJ0 11X 4.59184
60 2V2G BEZ 4.72103
61 5BOE PEP 4.72222
62 3QTP 2PG 4.72222
63 3FIU AMP 4.81928
64 2J9L ATP 4.86486
65 3TAO PGH 4.86891
66 3QDY CBS 4.8951
67 3QDW NDG 4.8951
68 3H0L ADP 5
69 5HTX ADP 5
70 2AZC 3TL 5.05051
71 4K91 SIN 5.20231
72 1DLL LAT 5.27778
73 6FXR UDP 5.27778
74 2V0C ANZ 5.27778
75 6BVE PGA 5.30612
76 4C01 QY9 5.31915
77 2W5P CL8 5.36913
78 4RW3 IPD 5.62914
79 4TS1 TYR 5.64263
80 2RIF AMP 5.67376
81 6APL C5P 5.83333
82 3GLC R5P 6.38889
83 2IMG MLT 6.62252
84 1DBT U5P 6.69456
85 5ZA2 NXL 6.77966
86 2EW5 Y12 7.18232
87 1VKF CIT 7.44681
88 6F7X MFU 7.77778
89 6FA4 D1W 8.09249
90 1GPM AMP 8.7619
91 5AHN IMP 8.88889
92 6D5M FW4 8.98204
93 2GMM MAN MAN 9.12698
94 6C4A PYR 9.44444
95 3CW9 AMP 9.72222
96 1S8G DAO 9.91736
97 1MI3 NAD 9.93789
98 1FRB ZST 10.1587
99 1MAR NAP 10.1587
100 1MAR ZST 10.1587
101 5Z6T NAP 10.2041
102 6GVZ CHO 10.4918
103 6GW4 CHO 11.0749
104 1Y2W NAG 11.2676
105 4TR9 ASP TRP ASN 11.3889
106 5TVF PUT 12.9412
107 2BTM PGA 13.0952
108 3QMN A3P 13.1783
109 1ZUA NAP 16.3889
110 1ZUA TOL 16.3889
111 1AFS NAP 16.3889
112 5ZCM NDP DTT 16.3889
113 1EKO I84 16.5079
114 1EKO NAP 16.5079
115 5AZ1 NDP 18.0556
116 3CV6 HXS 20
117 3CV6 NAP 20
118 3NTY NAP 20.4334
119 3NTY 5P3 20.4334
120 3CAQ NDP 21.3889
121 1VP5 NAP 21.6667
122 3CV7 C2U 22.5
123 3CV7 NAP 22.5
124 4IJR NDP 23.0556
125 2BGS NDP 23.6111
126 2WZM NA7 24.735
127 1ZGD NAP 25.2778
128 4H8N NDP 28.3871
129 1M9H NAD 29.4964
130 3KPB SAM 31.9672
131 1VBJ NAP 32.0285
132 3KRB NAP 35.2778
133 4JTA NAP 38.4384
134 1EXB NDP 38.5542
Pocket No.: 2; Query (leader) PDB : 2BP1; Ligand: FLC; Similar sites found with APoc: 256
This union binding pocket(no: 2) in the query (biounit: 2bp1.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3T03 3T0 1.05634
2 2HFP NSI 1.06383
3 2VBQ BSJ 1.21212
4 2J4D FAD 1.38889
5 1SR7 MOF 1.5444
6 4OAR 2S0 1.55039
7 4E2J MOF 1.6
8 3GN8 DEX 1.60643
9 5UFS 1TA 1.6129
10 5KF6 TFB 1.66667
11 5KF6 FAD 1.66667
12 2YB9 HA0 1.66667
13 5WIU AQD 1.66667
14 3QCP FAD 1.66667
15 1A05 IPM 1.67598
16 3Q8G PEE 1.875
17 4BFW ZVW 1.88679
18 2MAS PIR 1.91083
19 4OKZ 3E9 1.94444
20 3LDW IPE 1.94444
21 3LDW ZOL 1.94444
22 5XIJ ANP 1.94444
23 5XIJ 873 1.94444
24 1UP7 G6P 1.94444
25 6EL3 NAP 1.94444
26 6BR8 6OU 1.98413
27 3MTX PGT 1.98676
28 4Q0A 4OA 1.98676
29 2Q1H AS4 2
30 1YMT DR9 2.03252
31 5GUE GGS 2.1148
32 2BYC FMN 2.18978
33 1UVC STE 2.1978
34 3HX3 RET 2.21519
35 4XT8 TMQ 2.22222
36 5AM1 I5T 2.22222
37 6FX0 E9T 2.22222
38 4IVG ANP 2.22222
39 3V49 PK0 2.25564
40 5IH1 GDP 2.31788
41 5IH1 6BQ 2.31788
42 2AX9 BHM 2.34375
43 4X6X S74 2.38095
44 3ET1 ET1 2.4055
45 1PZG A3D 2.41692
46 5NI5 8YB 2.43056
47 3SP6 IL2 2.45614
48 2E2R 2OH 2.45902
49 4NMC 2OP 2.5
50 4NMC FAD 2.5
51 3PF7 MLA 2.5
52 3V66 D3A 2.5
53 1NP7 FAD 2.5
54 1FM9 9CR 2.52101
55 3KDU NKS 2.52708
56 2PX6 DH9 2.53165
57 1DKF OLA 2.57511
58 4POJ 2VP 2.5974
59 4M8E 29V 2.5974
60 6ESN BWE 2.62172
61 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 2.63158
62 2QES ADE 2.68199
63 1J1R ADE 2.68199
64 5NTW 98N 2.72374
65 1YOK P6L 2.73438
66 1YUC EPH 2.7451
67 1U3D FAD 2.77778
68 6ANV MTT 2.77778
69 3WCA FPS 2.77778
70 1HG4 LPP 2.77778
71 4BXK 1IU 2.77778
72 3HBV ALA LYS ALA SER GLN ALA ALA 2.81385
73 1NHZ 486 2.85714
74 1ZDU P3A 2.85714
75 5G5W R8C 2.85714
76 2JEV NHQ 2.87356
77 1XZ3 ICF 2.87356
78 4AZP A9M 2.89855
79 2B4B COA 2.92398
80 4URG C2E 2.99401
81 5NM7 GLY 3.00752
82 4PYW ACE THR THR ALA ILE NH2 3.05556
83 2X5W K2B 3.05556
84 5DX3 EST 3.06513
85 5WGQ EST 3.06513
86 5DXE EST 3.06513
87 5WGD EST 3.06513
88 5DXG EST 3.06513
89 5IXK 6EW 3.07018
90 1EWF PC1 3.07018
91 5FM0 WAQ 3.07692
92 2QZO KN1 3.10078
93 5HYR EST 3.10078
94 4LSJ LSJ 3.10078
95 1I1D COA 3.10559
96 1I1D 16G 3.10559
97 1M2Z DEX 3.11284
98 4MG7 27H 3.13725
99 4MGB XDH 3.13725
100 4MG9 27K 3.13725
101 3BQD DAY 3.13725
102 4P6X HCY 3.13725
103 4NSQ COA 3.15789
104 5JNN 6LM 3.15789
105 2BJ4 OHT 3.1746
106 3UUD EST 3.18725
107 2QE4 JJ3 3.22581
108 1M13 HYF 3.33333
109 3IQE H4M 3.53357
110 3IQE F42 3.53357
111 1M2T ADE 3.54331
112 3HST MLR 3.5461
113 1HYH NAD 3.55987
114 5OVL NAP 3.66667
115 4NAT 2W5 3.75
116 4NAT ADP 3.75
117 1G2N EPH 3.78788
118 2R40 EPH 3.80228
119 2R40 20E 3.80228
120 5LX9 OLB 3.87324
121 4J7Q B7N 3.88889
122 3EWC MCF 3.88889
123 3W5N RAM 3.88889
124 2VDY HCY 3.88889
125 1GQG DCD 4
126 4WQ2 3SU 4.04624
127 3KMZ EQO 4.13534
128 1OLM VTQ 4.16667
129 4QGE 35O 4.16667
130 3NJ4 AFX 4.16667
131 4IAE 1DX 4.16667
132 3STD MQ0 4.24242
133 5IGI GMP 4.31894
134 5IGI ZIT 4.31894
135 4WAS COO 4.3956
136 4WAS NAP 4.3956
137 4GAA BES 4.44444
138 4O4Z N2O 4.54545
139 5BV6 35G 4.60526
140 5A4W QCT 4.71698
141 5SYN 71T 4.72222
142 3KFC 61X 4.74308
143 4XU6 TDA 4.7619
144 4OHU 2TK 4.84429
145 4OHU NAD 4.84429
146 4DK7 0KS 4.8583
147 3P0K FAD 4.88722
148 3FS1 MYR 5
149 1TIW TFB 5
150 1TIW FAD 5
151 4CQ5 TCA 5
152 6AYI C3G 5.02513
153 2QM9 TDZ 5.16129
154 4NB5 2JT 5.26316
155 3DWB RDF 5.27778
156 4I6G FAD 5.27778
157 4GBD MCF 5.27778
158 4OMJ 2TX 5.39568
159 5I8F ML1 5.45455
160 1OYB HBA 5.5
161 4WVO 3UZ 5.52486
162 1O6U PLM 5.55556
163 2OBD PCW 5.55556
164 4KP7 NAP 5.55556
165 4KP7 1UQ 5.55556
166 3GFZ FMN 5.55556
167 4RW3 PLM 5.62914
168 4RW3 TDA 5.62914
169 5UC1 486 5.83333
170 3WBG 2AN 5.88235
171 6AYH C3G 5.97015
172 3RY9 1CA 6
173 1NU4 MLA 6.18557
174 3NJQ NJQ 6.21762
175 1V8B ADN 6.38889
176 3IPQ 965 6.38889
177 4U63 FAD 6.38889
178 4P3H 25G 6.73575
179 2HFN FMN 6.94444
180 3G5N PB2 6.94444
181 4Z87 GDP 6.94444
182 4KBS PX2 6.97674
183 4H6Q TFB 7.05128
184 5TIV A3P 7.11462
185 4ZBR NPS 7.22222
186 4ZBR DIF 7.22222
187 3PVT 3HC 7.33591
188 1ZDT PEF 7.46888
189 6DQU GLY ILE ILE ASN THR LEU 7.5
190 1PZL MYR 7.59494
191 1O7Q GAL NAG 7.61246
192 1O7Q UDP 7.61246
193 3RET PYR 7.92079
194 3RET SAL 7.92079
195 3WHB DCC 8.24742
196 3RUU 37G 8.29694
197 2F99 AKV 8.49673
198 5MWY YNU 8.52459
199 5L7G 6QE 8.52459
200 2V1O COA 8.60927
201 5TVI MYR 8.69565
202 1YRX FMN 9.09091
203 5TBM 79A 9.40171
204 4UDB CV7 9.55882
205 5J32 IPM 10.2778
206 3T50 FMN 10.9375
207 5MWE TCE 11.1111
208 3ZCB ATP 11.2903
209 4X6F 3XU 11.4286
210 4NE2 SH2 11.6667
211 2GJ3 FAD 11.6667
212 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 12
213 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 12
214 3SCM LGN 12.1212
215 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 12.1212
216 3RUG DB6 12.1212
217 3HUJ AGH 12.1212
218 5WL1 CUY 12.1212
219 3G08 FEE 12.1212
220 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 12.1212
221 4WN5 MVC 12.1739
222 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 12.6582
223 3QFS FAD 12.7778
224 3QFS NAP 12.7778
225 4BVM PLM 12.782
226 4BVM VCA 12.782
227 5O0B 9FE 13.5802
228 6A5Y 9CR 13.5965
229 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 13.7681
230 2ZFU SAH 15.3488
231 5HCV 60R 15.9533
232 1Q23 FUA 15.9817
233 2A3I C0R 16.2055
234 2XCM ADP 16.3043
235 2JDC CAO 16.4384
236 1R5L VIV 16.7939
237 2FYU FDN 17.9487
238 3CV6 HXS 20
239 3CV6 NAP 20
240 1YYE 196 20.8955
241 2I0G I0G 21.7899
242 1U3R 338 23.2365
243 3OLL EST 23.3333
244 2YJD YJD 23.3333
245 5ZCO PEK 31.9149
246 2DYR PEK 31.9149
247 2DYS PEK 31.9149
248 5ZCO PGV 31.9149
249 5Z84 PGV 31.9149
250 5ZCO TGL 31.9149
251 2DYS PSC 31.9149
252 2DYR TGL 31.9149
253 5Z84 TGL 31.9149
254 2DYS TGL 31.9149
255 3L9R L9R 33.6735
256 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 39
Pocket No.: 3; Query (leader) PDB : 2BP1; Ligand: NDP; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 2bp1.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1C1X HFA 1.38889
2 5X7Q GLC GLC 1.66667
3 5ZI9 FLC 2.69231
4 2DC1 CIT 3.38983
5 2QGI UDP 4.03226
6 1SW0 PGA 4.43548
7 3Q8U ADP 5.09554
8 4BWL MN9 5.92105
9 3EJW PAV 6.03175
10 5EXK MET 6.34441
11 4M3P HCS 7.77778
12 1Q8O MAN MMA 9.12698
13 3R6K FUC GAL GLA 10.1639
14 3KIH GDL 11.3402
15 2O66 FLC 14.0741
Pocket No.: 4; Query (leader) PDB : 2BP1; Ligand: FLC; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 2bp1.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3NJV RAM GTR RAM GTR RAM GTR 1.66667
2 4JKV 1KS 1.89474
3 1UDY CS8 1.94444
4 1UDY FAD 1.94444
5 4F06 PHB 1.94444
6 4QWT ACD 2.22222
7 3FAL LO2 2.47934
8 5DLY 5D7 3.00752
9 6BR9 6OU 3.88889
10 3T58 FAD 5.55556
11 4PJT 2YQ 5.55556
12 2FTB OLA 6.4
13 5ICK FEZ 8.29694
Pocket No.: 5; Query (leader) PDB : 2BP1; Ligand: FLC; Similar sites found with APoc: 48
This union binding pocket(no: 5) in the query (biounit: 2bp1.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3AIQ HBO 1.66667
2 3KB9 BTM 1.94444
3 3RDE OYP 1.94444
4 3NTD COA 2.22222
5 3NT6 COA 2.22222
6 4JNE ATP 2.22222
7 4FHD EEM 2.5
8 4FHD 0TT 2.5
9 3FEI CTM 2.62172
10 3WDM ADN 2.77778
11 2QA8 GEN 3.10078
12 3C9U TPP 3.33333
13 3P5P A3C 3.33333
14 1LGT BP3 3.367
15 4OYA 1VE 3.40426
16 4XCL AGS 3.4749
17 5Z1N PEF 3.57143
18 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 4.42478
19 2VJ8 HA2 4.44444
20 4GNI ATP 4.64548
21 2ZUV NDG 4.72222
22 2WDA L42 4.72222
23 2FP2 TSA 4.81928
24 3EYK EYK 4.95356
25 4RSE PLM 5
26 1QSM ACO 5.26316
27 1YC4 43P 5.30303
28 1EE0 CAA 5.55556
29 5KLP IHP 5.84795
30 5YAK FMN 6.06061
31 1DTL BEP 6.8323
32 3R1V AZB 7.08661
33 1TW4 CHD 7.2
34 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 10.084
35 1FRB ZST 10.1587
36 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 12
37 5Z46 8XL 15.2104
38 3CXH SMA 16.129
39 5ZCM NDP DTT 16.3889
40 1EKO I84 16.5079
41 1EKO NAP 16.5079
42 3FAP ARD 20.2128
43 3CAQ NDP 21.3889
44 4J24 EST 23.3333
45 4J26 EST 23.3333
46 2DYR PGV 31.9149
47 2DYS PGV 31.9149
48 1VBJ CIT 32.0285
Pocket No.: 6; Query (leader) PDB : 2BP1; Ligand: FLC; Similar sites found with APoc: 12
This union binding pocket(no: 6) in the query (biounit: 2bp1.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZW3 4S9 1.66667
2 1BZL GCG 1.94444
3 2E3N 6CM 2.35294
4 3VVY ET 3.09278
5 2ZCQ B65 3.75427
6 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 3.8806
7 1JG9 GLC 3.88889
8 3NTY 5P3 20.4334
9 3NTY NAP 20.4334
10 3CV7 C2U 22.5
11 3CV7 NAP 22.5
12 5FKP 6UL 27.2727
Pocket No.: 7; Query (leader) PDB : 2BP1; Ligand: NDP; Similar sites found with APoc: 18
This union binding pocket(no: 7) in the query (biounit: 2bp1.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z69 AGS 1.38889
2 6EGU 43Y 2.22222
3 1B4B ARG 2.8169
4 2YPI PGA 2.83401
5 4ZTE 4RL 2.8436
6 4C2C ALA ALA ALA 3.05556
7 2WHX ADP 3.88889
8 3EF0 ALF 3.88889
9 3HEE R5P 4.02685
10 5LFV SIA GAL NAG 4.16667
11 4USI AKG 5.27778
12 2D24 XYS XYS 6.11111
13 6D5H FV7 8.98204
14 6D56 FVM 8.98204
15 2GMP NAG MAN 9.12698
16 2PHT MAN MAN MAN 9.12698
17 2PHW MAN MAN MAN BMA MAN MAN MAN 9.12698
18 1TLG GAL 20.8
Pocket No.: 8; Query (leader) PDB : 2BP1; Ligand: NDP; Similar sites found with APoc: 11
This union binding pocket(no: 8) in the query (biounit: 2bp1.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2J5V PCA 3.61111
2 6E1Q CFA 3.88889
3 3EXS 5RP 5.42986
4 1KC7 PPR 5.55556
5 1U29 I3P 6.97674
6 3A16 PXO 8.61111
7 1D8C GLV 9.16667
8 3ZW2 NAG GAL FUC 11.4943
9 5TVM PUT 12.9412
10 5A5W GUO 16.2055
11 1N13 AG2 22.1239
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