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Receptor
PDB id Resolution Class Description Source Keywords
3VSV 1.48 Å EC: 3.2.1.37 THE COMPLEX STRUCTURE OF XYLC WITH XYLOSE THERMOANAEROBACTERIUM GLYCOSIDE HYDROLASE BETA-XYLOSIDASE PRODUCT INHIBITION HY
Ref.: THE SUBSTRATE/PRODUCT-BINDING MODES OF A NOVEL GH12 BETA-XYLOSIDASE (XYLC) FROM THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485 BIOCHEM.J. V. 448 401 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP C:703;
D:707;
D:702;
A:702;
A:703;
A:701;
B:705;
B:702;
B:704;
D:706;
D:703;
A:705;
C:704;
D:704;
C:702;
D:701;
A:704;
D:705;
B:701;
A:706;
C:701;
A:707;
D:708;
B:706;
C:705;
B:703;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
XYS A:709;
A:708;
C:706;
C:707;
D:710;
C:708;
B:707;
D:709;
B:708;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VSV 1.48 Å EC: 3.2.1.37 THE COMPLEX STRUCTURE OF XYLC WITH XYLOSE THERMOANAEROBACTERIUM GLYCOSIDE HYDROLASE BETA-XYLOSIDASE PRODUCT INHIBITION HY
Ref.: THE SUBSTRATE/PRODUCT-BINDING MODES OF A NOVEL GH12 BETA-XYLOSIDASE (XYLC) FROM THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485 BIOCHEM.J. V. 448 401 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3VSU - BXP C10 H18 O9 C1[C@H]([C....
2 3VSV - XYS C5 H10 O5 C1[C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3VSU - BXP C10 H18 O9 C1[C@H]([C....
2 3VSV - XYS C5 H10 O5 C1[C@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3VSU - BXP C10 H18 O9 C1[C@H]([C....
2 3VSV - XYS C5 H10 O5 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
Ligand no: 2; Ligand: XYS; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 25
This union binding pocket(no: 1) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 6G0X RAM GLC GLA NAG NDG NAG 1.33556
2 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 1.74825
3 2BMB PMM 2.01835
4 3GC8 B45 2.16216
5 3B8X G4M 2.30769
6 3MF2 AMP 2.60116
7 3WXM GTP 2.65957
8 4UBT COA 2.75689
9 5N87 N66 2.8754
10 3H22 B53 3.0303
11 5FBN 5WF 3.32103
12 6CLV 6MB 3.78007
13 5JGA 6KC 3.80952
14 5KD8 TNR 5.17241
15 2Y88 2ER 5.32787
16 1W3T 3GR 5.78231
17 4ZAH T5K 6.31313
18 5D3X 4IP 6.58683
19 4NW6 2NS 6.81115
20 1CM0 COA 7.14286
21 3QP6 HL6 7.16981
22 4NG2 OHN 12.3894
23 4WVO 3UZ 12.7072
24 1I1D 16G 19.2547
25 3QUZ QUV 22.0096
Pocket No.: 2; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 32
This union binding pocket(no: 2) in the query (biounit: 3vsv.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2QTZ FAD 1.48423
2 3WVR AMP 1.566
3 1K7W AS1 1.7094
4 5UL4 SAM 2.03762
5 3ZXR P3S 2.05761
6 3ZXR IQ1 2.05761
7 5DEP UD1 2.32558
8 1W96 S1A 2.34657
9 4OHY ANP 2.5522
10 2QF7 AGS 2.82132
11 2V58 LZJ 3.11804
12 2XIQ 5AD 3.29154
13 5K0A FAD 3.33333
14 5VZ0 ADP 3.44828
15 4OSP NAP 3.80228
16 3LN0 52B 4.08859
17 3JRX S1A 4.4293
18 2E5A LAQ 4.61095
19 3H78 BE2 4.73538
20 4XYM A12 4.78261
21 3GGF GVD 4.98339
22 2AOT SAH 5.13699
23 1J78 VDY 6.11354
24 3JQQ FAD 6.64557
25 1OSS BEN 6.72646
26 4N14 WR7 7.32484
27 1QMG APX 7.44275
28 3R1V AZB 7.87402
29 3I3X U22 8.10811
30 5VLQ ANP 8.93417
31 4YRY FAD 12.1795
32 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 14.0625
Pocket No.: 3; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 97
This union binding pocket(no: 3) in the query (biounit: 3vsv.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5IUY BOG 1.3245
2 2IO8 ADP 1.45396
3 3T58 FAD 1.54143
4 6C0T EE4 1.72911
5 3F5K CE5 1.8711
6 2J3M ATP 1.92308
7 2J3M PRI 1.92308
8 6CGD GNP 1.96721
9 5E70 RCD 2.12418
10 3WV6 GAL BGC 2.36486
11 3WV6 GAL GLC 2.36486
12 5GVL PLG 2.48869
13 5GVL GI8 2.48869
14 5JSD 1GN ACY GAL ACY 1GN BGC GAL BGC 2.50784
15 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 2.50784
16 1NYW DAU 2.53807
17 5OHJ 9VE 2.61283
18 5GQF GAL NAG 2.64026
19 5EO8 TFU 2.89389
20 5D6T NGA 2.94118
21 3NB0 G6P 3.1348
22 5FP3 3JI 3.13725
23 3MTX PGT 3.31126
24 4HWS 1B3 3.40633
25 4L80 OXL 3.44828
26 3RGA ILD 3.53357
27 5LIA 6XN 3.60502
28 3AAQ ARU 3.68272
29 4OCJ NDG 3.69393
30 6C7D EOJ 3.80117
31 5T7I LAT NAG GAL 3.87097
32 3K60 ADP 4.03587
33 2F2H XTG 4.07523
34 6FUL E7Z 4.14313
35 5DQ8 FLF 4.16667
36 5V4R MGT 4.32099
37 1C9K 5GP 4.44444
38 5J32 IPM 4.4665
39 3HVJ 705 4.52489
40 5L2R MLA 4.63576
41 4WVW SLT 4.86111
42 4K33 ACP 4.92308
43 4MP8 NAD 5.01475
44 4MP8 MLI 5.01475
45 1RE8 BD2 5.14286
46 3BJK CIT 5.22876
47 2ZX7 ZX7 5.27473
48 3PVW QRX 5.40541
49 2AX9 BHM 5.46875
50 4Q9M FPP 5.69106
51 5YBN AKG 5.73248
52 2B8T THM 5.8296
53 5C3R AKG 5.8309
54 5C3R HMU 5.8309
55 3VV1 GAL FUC 6.25
56 2HNK SAH 6.27615
57 1RBL CAP 6.42202
58 1U18 HSM 6.48649
59 6GNO XDI 6.66667
60 1QY1 PRZ 6.89655
61 2ZYI STE 6.94737
62 5FQ0 FLC 7.01754
63 3KH5 ADP 7.14286
64 2D6M LBT 7.54717
65 3STK PLM 7.57576
66 1TQP ATP 7.80142
67 5FKP 6UL 8.07018
68 5NTW 98N 8.56031
69 4M1U A2G MBG 8.57143
70 1UNB AKG 8.68167
71 4MNS 2AX 8.80503
72 1YRO UDP 8.94309
73 6BFH KAN 9.55056
74 1ZAP A70 9.64912
75 5GLT BGC GAL NAG GAL 10.2113
76 3WSJ MK1 10.3448
77 1OFL NGK GCD 10.6029
78 5DG2 GAL GLC 11.1111
79 5TBM 79A 11.1111
80 1A78 TDG 11.194
81 3ZXE PGZ 12.0301
82 3MWS 017 12.1212
83 6MPT C30 12.5874
84 4IZC 1GZ 12.7273
85 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 13.2653
86 1KGI T4A 14.1732
87 3MQG ACO 14.5833
88 3MQG UDP 14.5833
89 3MQG UDP UDP 14.5833
90 5NIU 8YZ 16.4062
91 4WO4 JLS 17
92 3S43 478 18.1818
93 4HK8 XYP XYP XYP XYP XYP XYP 20.1058
94 2P3B 3TL 21.2121
95 2O4N TPV 21.2121
96 3RWP ABQ 21.2219
97 4H2V AMP 26.3636
Pocket No.: 4; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 56
This union binding pocket(no: 4) in the query (biounit: 3vsv.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2CHN NGT 1.25392
2 4BGB ADP 1.84615
3 1TMO 2MD 1.88088
4 3FQ8 PMP 2.10773
5 1NP7 FAD 2.24949
6 5MHB PBG 2.46914
7 2GSU AMP 2.54453
8 4ZON 4Q1 2.5641
9 1PMO PLR 2.57511
10 1U1W 3HA 2.68456
11 2ZJ1 ARJ 3.0303
12 2ZJ1 NAD 3.0303
13 4WW8 VD9 3.04183
14 5N81 8Q2 3.0445
15 5N0L ILE 3.14465
16 2GZ3 NAP 3.55191
17 3N17 NAG NAG 3.6036
18 6GIU L69 3.61011
19 1LLO NAA NAA AMI 3.663
20 1EIX BMQ 3.67347
21 6AMI TRP 4.29293
22 6AM8 PLT 4.29293
23 6CUZ FEV 4.38144
24 2TPL HPP 4.38596
25 2DSA HPX 4.4335
26 1UZD CAP 4.47761
27 5L9O GOP 4.47761
28 1F6D UDP 4.78723
29 4HKP TKW 4.80769
30 4HKP 16B 4.80769
31 3OND ADN 4.91803
32 4R38 RBF 5
33 1TDF FAD 5.06329
34 2AQJ FAD 5.64263
35 2AQJ TRP 5.64263
36 2V63 CAP 5.71429
37 2VDH CAP 5.71429
38 2QCD U5P 5.76923
39 4GGZ BTN 6.08696
40 1Q6O LG6 6.48148
41 3MPB FRU 6.50407
42 3BNK FMN 6.63265
43 5W10 CMP 6.66667
44 1X1Z BMP 7.14286
45 1CDO NAD 7.48663
46 4E2J MOF 7.6
47 5M0T AKG 7.82313
48 3KO0 TFP 7.92079
49 3EW2 BTN 8.14815
50 1DBT U5P 8.78661
51 3T50 FMN 9.375
52 6ASZ GLN THR ALA ARG M3L SER 10.1449
53 3ITJ FAD 10.355
54 5ISY NAD 10.4247
55 3OBK PBG 10.9551
56 6F5Z SAH 14.7541
Pocket No.: 5; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 5
This union binding pocket(no: 5) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2DKH 3HB 1.5674
2 1EC9 XYH 1.56951
3 4ZVV GN0 3.31325
4 4ZVV NAD 3.31325
5 2Z81 PCJ 6.92168
Pocket No.: 6; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 22
This union binding pocket(no: 6) in the query (biounit: 3vsv.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1W0O DAN 2.50784
2 2V77 PAY 2.589
3 1YNH SUO 2.62009
4 1R27 MGD 2.73438
5 2ZID GLC GLC GLC 2.94659
6 1XPM HMG 3.28283
7 2H21 SAM 3.40909
8 5LU5 M7P 4.06091
9 5DXI TRE 4.63576
10 2I8T GDD 4.79042
11 3E8N VRA 4.98534
12 3E8N ATP 4.98534
13 1IR2 CAP 5.71429
14 2V6A CAP 5.71429
15 2V67 CAP 5.71429
16 2V68 CAP 5.71429
17 5V2J 7WV 6.23608
18 5V2J UDP 6.23608
19 3RYC GTP 6.29371
20 1V7C HEY 9.97151
21 1UZH CAP 10.6557
22 4XXH T6P 14.902
Pocket No.: 7; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 10
This union binding pocket(no: 7) in the query (biounit: 3vsv.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2QTZ NAP 1.48423
2 4UMA GZ3 2.849
3 4WTV ATP 3.50195
4 5G3U ITW 5.43735
5 3WXB NDP 5.73477
6 1ZEM NAD 6.48855
7 6F9G PUT 6.85358
8 1E96 GTP 8.33333
9 1XG4 ICT 8.81356
10 1GJC 130 21.7391
Pocket No.: 8; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 293
This union binding pocket(no: 8) in the query (biounit: 3vsv.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4PZ6 GMP 1.24069
2 3WVR AMP 1.566
3 4PNI KQQ 1.60428
4 2YAB AMP 1.66205
5 3HAV ATP 1.67224
6 3V8S 0HD 1.70732
7 3HZT J60 1.71306
8 4OAV ACP 1.72414
9 1Z45 UPG 1.72414
10 3GDN MXN 1.72745
11 6EOM ALA LYS 1.76678
12 5NJI 8Z2 1.86335
13 3C1X CKK 1.87668
14 5EOU ATP 1.88172
15 5MW8 ATP 1.91083
16 6GBC AMP 1.95652
17 3TPV ADE 2.04545
18 3DNT ATP 2.04545
19 1RJW ETF 2.0649
20 3A7R LAQ 2.07715
21 5MY8 RXZ 2.08877
22 5CCM SAM 2.1028
23 3KN5 ANP 2.15385
24 4LH7 1X8 2.16718
25 5UXH GFB 2.17984
26 5AE9 OKO 2.19436
27 6EZ6 C5Z 2.19436
28 5UAO FAD 2.21811
29 4YZC STU 2.22222
30 3VHE 42Q 2.22841
31 5X8G S0N 2.26804
32 4G31 0WH 2.34114
33 5V22 SAH 2.3569
34 3DLS ADP 2.38806
35 1S68 AMP 2.40964
36 3BP1 GUN 2.41379
37 2QK4 ATP 2.43363
38 2F2U M77 2.48756
39 4BUY F37 2.5
40 3KLL MAL 2.50784
41 5JLB SAH 2.50896
42 4FMU 0UM 2.51799
43 4TWP AXI 2.58303
44 5V49 8WA 2.58303
45 5V49 MET 2.58303
46 5ERR ADP 2.6253
47 4NM5 ADP 2.65252
48 2RKV COA 2.66075
49 3PLS ANP 2.68456
50 4WUP 3UF 2.69231
51 5JZJ AN2 2.6936
52 3ZRM ZRM 2.69542
53 4U44 3D9 2.71084
54 6E2O S0L 2.71186
55 6HTO MET 2.75
56 6HTO 5AD 2.75
57 4CLI 5P8 2.75229
58 2QF7 AGS 2.82132
59 4WNK 453 2.84281
60 2PYW ADP 2.85714
61 3F7Z 34O 2.85714
62 3RI1 3RH 2.8754
63 5CKW ANP 2.88248
64 2OYS FMN 2.89256
65 1I7L ATP 2.91262
66 4USF 6UI 2.96053
67 4OOE FOM 2.9703
68 4OOE NDP 2.9703
69 5WO4 B7V 2.98013
70 2VQD AP2 3.01724
71 3LXK MI1 3.0581
72 3AKK ADP 3.07692
73 2PID YSA 3.08989
74 3ZUY TCH 3.09598
75 2Q4H AMP 3.1339
76 4UWH JXM 3.1614
77 5VW2 FDA 3.16456
78 5VW2 NAP 3.16456
79 5WXH ALA ARG THR M3L GLN THR ALA 3.1746
80 2X2M X2M 3.18471
81 1XKV ATP 3.21361
82 5JFS 6K0 3.24675
83 1QFY FAD 3.24675
84 1QFY NAP 3.24675
85 3SRV S19 3.2491
86 1OBD ATP 3.26797
87 5DXT 5H5 3.29154
88 1T36 ADP 3.29154
89 2J7T 274 3.31126
90 2J9D ADP 3.36134
91 2CSN CKI 3.367
92 4ASE AV9 3.39943
93 4NST ADP 3.4188
94 2A19 ANP 3.42857
95 3ORQ ADP 3.44828
96 3LXN MI1 3.45912
97 2Q7D ANP 3.46821
98 1Q8Y ADE 3.48525
99 3RE4 TO1 3.48837
100 6AC9 ANP 3.51351
101 4K39 SAM 3.51351
102 4K38 SAM 3.51351
103 4K37 SAM 3.51351
104 4GYI ADP 3.52645
105 1YQC GLV 3.52941
106 5COU ATP 3.52941
107 4LRJ ANP 3.5503
108 1VPM COA 3.5503
109 3PP0 03Q 3.5503
110 4ZS4 ATP 3.58306
111 6EQS BV8 3.63636
112 2VN9 GVD 3.65448
113 3RIY NAD 3.663
114 5GZZ GSH 3.66972
115 1WN3 HXC 3.67647
116 4AT3 LTI 3.67893
117 3UIM ANP 3.68098
118 8CAT NDP 3.75494
119 1V8B NAD 3.75783
120 5BV3 M7G 3.76812
121 6CZ3 FLJ 3.78788
122 4AG8 AXI 3.79747
123 5C03 AGS 3.80117
124 5JGA 6KC 3.80952
125 2VZ6 FEF 3.83387
126 4EN4 GT0 3.84615
127 4EN4 ATP 3.84615
128 4EN4 GT1 3.84615
129 5JKG 6LF 3.85852
130 3FHR P4O 3.86905
131 4G17 0VN 3.93939
132 4U98 ACP 3.96476
133 4I54 1C1 3.96601
134 3T7V SAM 4
135 3OZG SSI 4
136 6GZD LCI 4.01069
137 5Y80 IRE 4.05405
138 2GOU FMN 4.10959
139 5U6C 7YS 4.12698
140 1U59 STU 4.18118
141 4OTH DRN 4.23198
142 5DZT AMP 4.23198
143 2YK7 CSF 4.29448
144 5T8O 76Z 4.29799
145 1XJD STU 4.34783
146 2XMY CDK 4.36242
147 3MVH WFE 4.38596
148 2RCU BUJ 4.38871
149 3UDZ ADP 4.46247
150 4IDT T28 4.49438
151 3ALN ANP 4.58716
152 4JGP PYR 4.60829
153 6FL8 TIY 4.68085
154 6FL8 ADP 4.68085
155 1M0W ANP 4.68432
156 3E1T FAD 4.6875
157 5OJL TXP 4.69799
158 3EFS BTN 4.72103
159 5DH3 5BS 4.7619
160 2PUL ACP 4.78589
161 2FR6 CTN 4.79452
162 2FR6 URI 4.79452
163 4CTA ATP 4.82234
164 5MLR GRQ 4.86618
165 5MLR NAP 4.86618
166 4YNM SAM 4.86726
167 3BBH SFG 4.87805
168 3UG4 AHR 4.96032
169 5EOB 5QQ 5.01567
170 4BTK DTQ 5.04451
171 4TXJ THM 5.06757
172 4C5N PXL 5.07246
173 4C5N ACP 5.07246
174 5C5H 4YB 5.07726
175 1Y57 MPZ 5.0885
176 3OII SAH 5.13834
177 3FHI ANP 5.14286
178 4MO2 FAD 5.16304
179 3DAK ANP 5.17241
180 4DVR 0LY 5.18868
181 2AQX ATP 5.19031
182 1PK8 ATP 5.21327
183 1IXE COA 5.30504
184 5TDF ADP 5.33643
185 4HJY NAG NAG NAG 5.33981
186 2XOC ADP 5.36398
187 1TZD ADP 5.45455
188 4NFN 2KC 5.50162
189 5HES 032 5.53746
190 4R84 CSF 5.5666
191 4WNP 3RJ 5.57491
192 3SLS ANP 5.59211
193 5ZTN CUR 5.59441
194 5TT5 NAD 5.64263
195 6CQF F97 5.72391
196 5YK1 ANP 5.75221
197 5A7Y SAH 5.76923
198 1EXF GLY 5.78512
199 5OES ADP 5.7971
200 5IM3 DTP 5.79937
201 4WW7 AMP 5.88235
202 6CMJ F6J 5.919
203 2V7O DRN 5.95238
204 5M3E APR 6.06061
205 4JWH SAH 6.07029
206 1IA9 ANP 6.07143
207 5RHN 8BR 6.08696
208 4Y0X ADP 6.13333
209 5WA9 9ZD 6.20155
210 5LXT ACP 6.29371
211 1AV5 AP2 6.34921
212 5A6N U7E 6.36042
213 3X01 AMP 6.36132
214 2ZV2 609 6.37584
215 3V4S ATP 6.45995
216 5TT6 ATP 6.59898
217 3GYQ SAM 6.61765
218 3GQI ACP 6.63717
219 5UR1 YY9 6.75241
220 4NW6 2NS 6.81115
221 4UX9 ANP 6.86813
222 3TY5 ATP 6.89655
223 4EUU BX7 6.89655
224 3D04 SAK 6.91824
225 4INI AMP 6.92308
226 2R3A SAM 7
227 1SJN DUP 7.05882
228 1LO8 4CA 7.0922
229 5I35 ANP 7.12468
230 2HY0 306 7.14286
231 4AUA 4AU 7.16612
232 5MW4 5JU 7.18563
233 1JG3 ADN 7.23404
234 6HOY TSN 7.28477
235 4IEN COA 7.36196
236 2J8C U10 7.47331
237 1S7G APR 7.50988
238 3KFL ME8 7.62411
239 4XBA 5GP 8
240 4XBA GMP 8
241 6GR0 F8W 8.04598
242 3PN1 IVH 8.1761
243 5KK4 44E 8.33333
244 4K7O EKZ 8.33333
245 2XCG XCG 8.46154
246 1UDB NAD 8.57988
247 1UDB UFG 8.57988
248 4PTN PYR 8.74636
249 4FL3 ANP 8.8189
250 1SQL GUN 9.58904
251 6BXI ANP 9.60961
252 4C2W ANP 9.61539
253 4CNG SAH 9.80392
254 3DLG GWE 10
255 4CFU 2WC 10.3053
256 4Q3S X7A 10.3896
257 4CQE CQE 10.4317
258 3N39 FMN 10.4575
259 4QTB 38Z 10.5263
260 2GQR ADP 10.5485
261 1OFL NGK GCD 10.6029
262 2GQS ADP 10.9705
263 2QCS ANP 10.9966
264 4C2V YJA 11.3636
265 3N1S 5GP 11.7647
266 1ZX5 LFR 12.3333
267 1ST0 GTG 12.4629
268 6MPT C30 12.5874
269 6G34 5ID 12.8852
270 1NBU PH2 13.4454
271 5LI1 ANP 14.1243
272 5LI9 ACP 14.2857
273 1JBU BEN 14.2857
274 1W2D ADP 14.717
275 1W2D 4IP 14.717
276 4FE2 ADP 14.902
277 2B3D FAD 15.1961
278 4NJH SAM 15.2174
279 4NJH 2K8 15.2174
280 5EYK 5U5 15.2542
281 4F9C 0SX 15.2778
282 4Q5H ANP 15.3846
283 5O1I 9GH 16.895
284 5KY9 GDP 20
285 5UPK ANP 20.8333
286 5LVP ATP 21.2219
287 3E5A VX6 21.6418
288 5LXM ADP 21.9081
289 5TWJ SAM 23.4568
290 4WB6 ATP 25
291 4WB7 ATP 25
292 3LQV ADE 25.641
293 4Z4P SAH 26.506
Pocket No.: 9; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 14
This union binding pocket(no: 9) in the query (biounit: 3vsv.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2OBD 2OB 2.10084
2 2XIB DFU 2.20751
3 1DJN FMN 2.97806
4 1XON PIL 3.15186
5 4AUT FAD 5.76923
6 4XUC SAM 6.42202
7 4XUC 43G 6.42202
8 4FG8 ATP 7.61905
9 3G08 FEE 8.07018
10 1SLT NDG GAL 8.20895
11 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 8.42105
12 2YMZ LAT 10
13 2WLG SOP 10.6977
14 3WUD GLC GAL 20.5882
Pocket No.: 10; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 10
This union binding pocket(no: 10) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 5OCM NAP 1.37457
2 4LXQ FON 2.18978
3 4LXQ TYD 2.18978
4 3TLC 7MD 2.69542
5 5O96 SAM 3.67347
6 3KB6 NAD 6.88623
7 3AB4 THR 7.36342
8 4CQK PIO 8.51064
9 3H86 AP5 8.85417
10 1QH9 LAC 9.48276
Pocket No.: 11; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 42
This union binding pocket(no: 11) in the query (biounit: 3vsv.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4O1P ANP 1.72414
2 1U5R ATP 1.72414
3 1ZBQ NAD 1.83486
4 1GZ6 NAI 1.88088
5 4M69 ANP 2.8754
6 4YS0 ADP 3.1348
7 5FI4 5XV 3.40557
8 4MZQ 1VU 3.47222
9 1IR3 ANP 3.59477
10 6A1G 9OL 3.61111
11 5Y5Q DUT 4.02299
12 4CS9 AMP 4.2328
13 2E5A LAQ 4.61095
14 3T6E MQ9 4.7619
15 4UUW AMP 4.82234
16 3OYZ ACO 4.84988
17 4CC6 L5Y 5.03145
18 4B1V LAB 5.05319
19 5M06 ADP 5.07246
20 3PVW QRX 5.40541
21 2YAK OSV 5.61404
22 3O7J 2AL 5.82011
23 1VL0 NAI 5.82192
24 1N62 MCN 6.0241
25 1EWY FAD 6.12245
26 2HGS ADP 6.32911
27 3M2W L8I 6.35452
28 3KPB SAM 6.55738
29 1XCL SAH 6.80851
30 3KH5 AMP 7.14286
31 3KH5 ADP 7.14286
32 4YZN 4K5 7.66551
33 4E1Z 0MX 8.24742
34 4CBU ATP 8.46561
35 5BO9 SIA GAL NGS 8.66873
36 5VLQ ANP 8.93417
37 3NCQ ATP 9.2437
38 6EBQ FMN 10
39 5NWD 9C8 10.2041
40 3VBK COA 10.2439
41 2BKK ADP 12.8788
42 6MJ7 ARG 21.8182
Pocket No.: 12; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 2
This union binding pocket(no: 12) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 5GM1 SAH 5.72391
2 2WCU FUC 14.7651
Pocket No.: 13; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 4
This union binding pocket(no: 13) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 6DQU GLY ILE ILE ASN THR LEU 3.20755
2 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 6.02837
3 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 6.02837
4 2JDU MFU 6.08696
Pocket No.: 14; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 5
This union binding pocket(no: 14) in the query (biounit: 3vsv.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4PNI KQQ 1.60428
2 3ICC NAP 4.70588
3 3TKA SAM 6.05187
4 2OEM 1AE 7.74818
5 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 39.3443
Pocket No.: 15; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 17
This union binding pocket(no: 15) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4WOE ADP 1.41066
2 5DMZ ADP 1.64384
3 1GP6 SIN 1.96629
4 1GP6 DH2 1.96629
5 1GP6 QUE 1.96629
6 4YZC STU 2.22222
7 1X7D ORN 2.85714
8 1DGH NDP 3.61446
9 4PFC 2QX 4.38871
10 1JGU HBC 5.45455
11 5O9W AKG 5.72207
12 6GR0 F8W 8.04598
13 5AIG VPR 11.2
14 5HQ0 LZ9 16.8498
15 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 17
16 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 17
17 5LJB RTL 17.7778
Pocket No.: 16; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 2
This union binding pocket(no: 16) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3BF1 ADP 8.03213
2 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 10.4167
Pocket No.: 17; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 1
This union binding pocket(no: 17) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4L4V 1VY 16.1616
Pocket No.: 18; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3vsv.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 6
This union binding pocket(no: 19) in the query (biounit: 3vsv.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1TF9 PHI 3.52113
2 6GN6 GLC 3.57942
3 4UP5 94W 4.0404
4 4NV7 COA 4.80769
5 5IM3 DTP 5.79937
6 1SIV PSI 11.1111
Pocket No.: 20; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 6
This union binding pocket(no: 20) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZPA ACO 1.25392
2 4MIB 28M 2.80702
3 4NSQ COA 6.31579
4 1ND4 KAN 9.09091
5 4H2X G5A 10.6796
6 5EZU MYR 12.3596
Pocket No.: 21; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 2
This union binding pocket(no: 21) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZK7 FAD 3.42612
2 1UP7 NAD 5.7554
Pocket No.: 22; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 3
This union binding pocket(no: 22) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2YAK OSV 5.61404
2 5EYK 5U5 15.2542
3 1LFO OLA 26.5625
Pocket No.: 23; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 1
This union binding pocket(no: 23) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3ETH ATP 1.97183
Pocket No.: 24; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 2
This union binding pocket(no: 24) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 5GM1 SAH 5.72391
2 2WCU FUC 14.7651
Pocket No.: 25; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 6
This union binding pocket(no: 25) in the query (biounit: 3vsv.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1PQ7 ARG 2.23214
2 5DRB 5FJ 2.4055
3 5CKS 52L 4.8433
4 4BTK DTQ 5.04451
5 3OVR 5SP 6.14035
6 1EB1 ZAL PRO MMO 7.393
Pocket No.: 26; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 1
This union binding pocket(no: 26) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 5AOV NAP 5.05952
Pocket No.: 27; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 46
This union binding pocket(no: 27) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3IQE F42 1.41343
2 2WME NAP 1.63265
3 3BMN NAP 2.08333
4 5JDI NAP 2.08333
5 5JDC NAP 2.08333
6 2WZV FMN 2.97872
7 6BE0 COA 3.64238
8 1NVM NAD 3.76812
9 4HMT FMN 4
10 4HMT NNV 4
11 1V97 FAD 4.07523
12 3QDL FMN 4.28571
13 2XMY CDK 4.36242
14 1KQB FMN 4.60829
15 1KQB BEZ 4.60829
16 3LU1 NAD 4.67033
17 4ZTE 4RL 4.73934
18 5DH3 5BS 4.7619
19 2RIF AMP 4.96454
20 4HGD KGT 4.98534
21 4MO2 FAD 5.16304
22 5HPZ 68G 5.58659
23 1YKI NFZ 6.45161
24 1YKI FMN 6.45161
25 1ICV FMN 6.45161
26 1I8T FAD 7.08447
27 4Y85 499 7.53012
28 1N7G NDP 7.61155
29 1AOE NDP 8.33333
30 1AOE GW3 8.33333
31 3LF0 ATP 9.64912
32 1Y3A GDP 9.72644
33 2VBQ BSJ 10.303
34 1O5O U5P 10.8597
35 6BJO DUY 11.2
36 1T9M FMN 11.215
37 3O9Z AKG 11.2179
38 3O9Z NAD 11.2179
39 2CNT COA 11.25
40 5CLO NS8 11.8644
41 1GT4 UNA 11.9497
42 5YGE ACO 12.069
43 5YGE GLU 12.069
44 2QBU SAH 12.931
45 1FQJ GDP 14.2857
46 1N71 COA 31.6667
Pocket No.: 28; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 1
This union binding pocket(no: 28) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1UNB PN1 8.68167
Pocket No.: 29; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 1
This union binding pocket(no: 29) in the query (biounit: 3vsv.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 2EV1 OLA 14.8649
Pocket No.: 30; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 22
This union binding pocket(no: 30) in the query (biounit: 3vsv.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4IPH 1FJ 1.62602
2 5AWM ANP 1.77665
3 2ZWS PLM 1.88088
4 1M2W NAD 2.0284
5 2ZBA COA 2.83224
6 4E93 GUI 3.18302
7 1T36 U 3.29154
8 4F4P 0SB 3.2967
9 2J9C ATP 3.36134
10 6C1S EFV 3.60502
11 3UYK 0CX 3.61757
12 2RC5 FAD 3.82166
13 2Q37 3AL 4.41989
14 2V51 ATP 5.03979
15 4BHN BH9 5.08982
16 3IDB ANP 7.45342
17 4FG8 ATP 7.61905
18 1JJE BYS 7.65766
19 4AVB ACO 7.80781
20 2ART LPA AMP 8.77863
21 3BL7 DD1 13.9535
22 1KGI T4A 14.1732
Pocket No.: 31; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 1
This union binding pocket(no: 31) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5QB1 F1C 5.76132
Pocket No.: 32; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 32) in the query (biounit: 3vsv.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 33) in the query (biounit: 3vsv.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 34; Query (leader) PDB : 3VSV; Ligand: XYP; Similar sites found with APoc: 1
This union binding pocket(no: 34) in the query (biounit: 3vsv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2JDU MFU 6.08696
Pocket No.: 35; Query (leader) PDB : 3VSV; Ligand: XYS; Similar sites found with APoc: 41
This union binding pocket(no: 35) in the query (biounit: 3vsv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5JFL NAD 1.33588
2 1LJ8 NAD 2.0284
3 2YJP CYS 2.06186
4 5K3W PLP 2.55591
5 4BMX ADE 2.78884
6 5ZI2 NAD 2.89855
7 4TR9 38D 3.25203
8 2HJR APR 3.35366
9 2IU8 PLM 3.47594
10 4LCN GNG 3.5533
11 2ZXI FAD 3.61068
12 4DPL NAP 3.62117
13 2V6K TGG 3.73832
14 5H5O PCG 3.87597
15 4M52 M52 4.38871
16 3WLE NAD 4.39883
17 3ML1 MGD 4.44444
18 2QE0 NAP 5.05263
19 6ALW BNV 5.20833
20 6ALW BMJ 5.20833
21 5LJ0 6XX 5.38462
22 4BV6 FAD 5.67951
23 1EZ4 NAD 6.60377
24 1JW0 GUA 6.96203
25 1ZOS MTM 7.3913
26 4USI ATP 7.79221
27 1XT8 CYS 7.87671
28 5U3F 7TS 7.88043
29 2QV6 GTP 8.20895
30 3O9L LPN 8.52273
31 1HTW ADP 8.86076
32 5D85 P1T 8.89571
33 3BXF 13P 9.01961
34 3LF0 ATP 9.64912
35 1TT8 PHB 10.3659
36 2YY8 SAM 10.4478
37 4AZ3 S35 10.9677
38 1PNO NAP 11.1111
39 2V92 AMP 12.7389
40 2V92 ATP 12.7389
41 2HJ4 PNZ 21.4815
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