Receptor
PDB id Resolution Class Description Source Keywords
3HRD 2.2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF NICOTINATE DEHYDROGENASE EUBACTERIUM BARKERI SELENIUM LIGAND 2FE-2S IRON IRON-SULFUR METAL-BINDING OXIDOREDUCTASE
Ref.: THE MO-SE ACTIVE SITE OF NICOTINATE DEHYDROGENASE PROC.NATL.ACAD.SCI.USA V. 106 11055 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
18095_18096_18097_ B:920;
Invalid;
none;
submit data n/a n/a n/a n/a
18231_ F:920;
Part of Protein;
none;
submit data n/a n/a n/a n/a
18232_18233_ F:920;
Invalid;
none;
submit data n/a n/a n/a n/a
CA E:5663;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FAD C:900;
G:900;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES D:907;
D:908;
H:907;
H:908;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
MCN B:921;
F:921;
Valid;
Valid;
none;
none;
submit data
696.501 C19 H22 N8 O13 P2 S2 C1=CN...
MG A:426;
A:427;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
NIO B:5661;
E:5660;
Valid;
Valid;
none;
none;
submit data
123.109 C6 H5 N O2 c1cc(...
NO3 A:5658;
C:5659;
E:5662;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.005 N O3 [N+](...
SE A:922;
E:922;
Part of Protein;
Part of Protein;
none;
none;
submit data
78.96 Se [SeH2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HRD 2.2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF NICOTINATE DEHYDROGENASE EUBACTERIUM BARKERI SELENIUM LIGAND 2FE-2S IRON IRON-SULFUR METAL-BINDING OXIDOREDUCTASE
Ref.: THE MO-SE ACTIVE SITE OF NICOTINATE DEHYDROGENASE PROC.NATL.ACAD.SCI.USA V. 106 11055 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3HRD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 3HRD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3HRD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Ligand no: 2; Ligand: MCN; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 MCN 1 1
2 CDP 0.557692 0.819277
3 CTP 0.542056 0.819277
4 C2G 0.535714 0.809524
5 CDC 0.517241 0.712766
6 CDM 0.512821 0.764045
7 7XL 0.508929 0.8
8 C5G 0.508475 0.821429
9 PCD 0.496403 0.909091
10 CXY 0.491667 0.821429
11 CAR 0.485714 0.807229
12 C5P 0.485714 0.807229
13 C 0.485714 0.807229
14 1AA 0.484127 0.857143
15 CDP MG 0.481818 0.767442
16 C C 0.441667 0.807229
17 2AA 0.438849 0.737864
18 CSQ 0.426357 0.833333
19 CSV 0.426357 0.833333
20 91P 0.414286 0.873563
21 AR3 0.403846 0.722892
22 CTN 0.403846 0.722892
Ligand no: 3; Ligand: NIO; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NIO 1 1
2 5F8 0.487805 0.789474
3 BEZ 0.433333 0.625
4 5HN 0.428571 0.695652
5 61O 0.418605 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HRD; Ligand: FAD; Similar sites found: 134
This union binding pocket(no: 1) in the query (biounit: 3hrd.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F0X FAD 0.000006165 0.49098 4.05405
2 1UF5 CDT 0.04088 0.40678 4.29043
3 5DA3 58V 0.002931 0.46693 4.375
4 4CYI ATP 0.00925 0.42224 4.375
5 1SFF IK2 0.02326 0.4005 4.375
6 1QDS PGA 0.0294 0.41438 4.38247
7 2ZV2 609 0.006737 0.44803 4.39189
8 1UJ5 5RP 0.03886 0.40456 4.40529
9 4BTK DTQ 0.02649 0.40353 4.74777
10 1SES AHX 0.02515 0.40769 5
11 4PTN PYR 0.04569 0.41367 5.06757
12 4JB1 NAP 0.00000505 0.46117 5.15152
13 4JB1 FAD 0.000005472 0.45667 5.15152
14 2GQT FAD 0.000009492 0.43877 5.22388
15 2F57 23D 0.0323 0.40543 5.36278
16 1Q19 SSC 0.0213 0.43076 5.41176
17 1O5O U5P 0.009715 0.43558 5.42986
18 4RF7 ARG 0.004542 0.46557 5.45455
19 1NE7 16G 0.02929 0.42229 5.53633
20 2Q4W FAD 0.00004986 0.47141 5.625
21 4AOA IK2 0.02613 0.40687 5.74324
22 2VL8 UDP 0.0259 0.404 5.74324
23 2PS1 ORO 0.0004144 0.51737 5.75221
24 2PS1 PRP 0.002903 0.44229 5.75221
25 3SRV S19 0.005839 0.44278 6.06061
26 3K8D KDO 0.01614 0.43662 6.06061
27 3TTM PUT 0.0428 0.41327 6.06061
28 2HHP FLC 0.005063 0.42793 6.11765
29 1MZV AMP 0.001026 0.49072 6.25
30 2X1L MET 0.04641 0.40589 6.25
31 2V51 ATP 0.01645 0.40467 6.25
32 1XTT U5P 0.02111 0.41145 6.48148
33 1RN8 DUP 0.03586 0.40637 6.57895
34 4P83 U5P 0.003155 0.46526 6.59341
35 2JBH 5GP 0.007337 0.45062 6.66667
36 2I0K FAD 0.000185 0.44748 6.66667
37 1C3M MAN MAN 0.04003 0.40506 6.80272
38 3F81 STT 0.03927 0.40876 6.875
39 3WXL ADP 0.02336 0.43613 6.94981
40 4UWH JXM 0.03628 0.40286 6.98835
41 1GVF PGH 0.04646 0.41111 6.99301
42 4Q3S X7A 0.03456 0.4072 7.27273
43 1UWC FER 0.03586 0.41348 7.27969
44 4JEJ 1GP 0.03043 0.41006 7.37705
45 1VBO MAN 0.04038 0.40382 7.38255
46 1HGX 5GP 0.004727 0.46085 7.5
47 2JFV FLC 0.04266 0.41087 7.5
48 4ZM4 PLP 0.0189 0.41718 8
49 3IP8 B85 0.01004 0.43895 8.06452
50 2TOH HBI 0.04524 0.41232 8.125
51 2HQU DUP 0.01739 0.40637 8.53659
52 2QS8 MET 0.04179 0.40986 8.75
53 1TRD PGH 0.02464 0.41481 8.8
54 2D0O ADP 0.03821 0.40172 8.8
55 5KQG 6VX 0.01903 0.42436 8.98876
56 2HXW FLC 0.03337 0.41914 9.2827
57 1SQF SAM 0.02534 0.40155 9.375
58 2JKY 5GP 0.02391 0.41204 9.38967
59 1EJ0 SAM 0.02568 0.40127 9.44444
60 3IX9 MTX 0.03508 0.40687 9.47368
61 3QH2 3NM 0.04053 0.41443 9.50226
62 1Q5H DUD 0.01627 0.41066 9.52381
63 1T44 ATP 0.02096 0.4026 9.52381
64 1E8G FCR 0.0002641 0.4267 9.64706
65 1E8G FAD 0.0002745 0.42288 9.64706
66 5MRH Q9Z 0.008331 0.44766 9.7973
67 2MBR FAD 0.00004694 0.41323 9.7973
68 2MBR EPU 0.0001017 0.40592 9.7973
69 1M0S CIT 0.03351 0.41508 10.0457
70 2YPI PGA 0.02499 0.41812 10.1215
71 3AB4 THR 0.03153 0.41652 10.1351
72 4CBX ATP 0.01556 0.40861 10.2362
73 5N53 8NB 0.02349 0.42801 10.2564
74 3UEC ALA ARG TPO LYS 0.03735 0.41546 10.274
75 4CP8 MLI 0.03255 0.42128 10.625
76 3S6X SIA GAL BGC 0.03965 0.41634 10.625
77 3W8X FAD 0.0008262 0.4013 10.625
78 2OL1 UMP 0.03098 0.40321 10.8844
79 2DTJ THR 0.03261 0.41201 11.236
80 1ZN7 ADE 0.002639 0.4693 11.6667
81 1ZN7 HSX 0.002639 0.4693 11.6667
82 1ZN7 PRP 0.009606 0.42147 11.6667
83 3B6O TMP 0.0239 0.42719 11.7409
84 1JPA ANP 0.02381 0.41218 11.875
85 2E1A MSE 0.04569 0.40774 12
86 1P0Z FLC 0.01132 0.44889 12.2137
87 4AVV GHE 0.006497 0.45926 12.2549
88 1L1Q 9DA 0.002191 0.44791 12.3656
89 1N13 AG2 0.04985 0.40996 12.3894
90 3QMN A3P 0.01959 0.43327 12.4031
91 1V59 NAD 0.04054 0.4036 12.5
92 3MBI HSX 0.0106 0.44204 12.5436
93 3F4F UMP 0.01545 0.41813 12.5749
94 1DQN IMU 0.04115 0.41023 12.6087
95 3B6C SDN 0.01618 0.43655 12.8205
96 3PTG 932 0.04619 0.40748 12.8378
97 4XLI 1N1 0.02938 0.40435 13.125
98 3QDV NDG 0.005211 0.4681 13.2867
99 1SJN DUP 0.009846 0.42427 13.5294
100 1TLG GAL 0.04702 0.41728 13.6
101 3MN6 ATP 0.01787 0.40303 13.6364
102 4MIX UD1 0.01815 0.41468 13.75
103 1QB7 ADE 0.0005868 0.50339 13.9831
104 3P48 DUP 0.008228 0.43928 14.2857
105 5TWO 7MV 0.01523 0.40904 14.3382
106 4WNP 3RJ 0.02075 0.41865 14.375
107 4Y8D 49J 0.01473 0.41585 15
108 5JSQ 6MS 0.008505 0.43854 15.2778
109 3G4Q MCH 0.03816 0.40496 15.7534
110 2PRG BRL 0.02852 0.40197 15.9091
111 2HY0 306 0.03099 0.40966 16.25
112 4EHQ GBL 0.00881 0.46989 16.8919
113 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 0.01078 0.41599 17.7215
114 4JLS 3ZE 0.005239 0.46523 17.7632
115 2A9G ARG 0.03148 0.41656 17.8788
116 1ZMD NAI 0.01173 0.40323 18.75
117 1LNX URI 0.005719 0.46319 19.7531
118 5E5U MLI 0.0004789 0.45356 20
119 1G8S MET 0.03007 0.42257 20
120 2CJZ PTR 0.02636 0.42024 20.625
121 4I67 G G G RPC 0.03496 0.4104 20.6897
122 4GV8 DUP 0.02016 0.41244 21.3018
123 1PZM 5GP 0.002477 0.47587 21.875
124 4C2W ANP 0.03576 0.41865 23.0769
125 3ACC 5GP 0.003498 0.46785 25.4144
126 2UUU PL3 0.00001053 0.48669 28.0405
127 2UUU FAD 0.00001053 0.43387 28.0405
128 1HSK FAD 0.000003079 0.51237 30.7432
129 4YSW NAI 0.000000000009 0.58678 42.7273
130 4YSW FAD 0.00000000002546 0.57441 42.7273
131 1FIQ FAD 0.000000000005378 0.72936 44.2424
132 3NRZ FAD 0.00000000001897 0.70243 44.2424
133 1V97 FAD 0.000000000007392 0.58355 44.2424
134 1JOT GAL A2G 0.04934 0.40467 45
Pocket No.: 2; Query (leader) PDB : 3HRD; Ligand: NIO; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 3hrd.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UP7 NAD 0.03598 0.41349 6.23501
2 2Q8M AMP 0.008018 0.40726 6.25
3 5EOB 5QQ 0.01923 0.42985 6.89655
4 5FBN 5WF 0.03993 0.40208 7.01107
5 4C0R GDS 0.01073 0.42613 7.25806
6 1PNO NAP 0.00933 0.43271 7.77778
7 4RSL FAD 0.02659 0.42081 8.125
8 1QPB PYM 0.02394 0.40025 8.18182
9 1QPB TPP 0.02394 0.40025 8.18182
10 4O33 3PG 0.03412 0.41278 9.375
11 2QQF A1R 0.03909 0.41359 10
12 5KY3 GFB 0.0252 0.41243 10
13 4AF0 IMP 0.03441 0.40041 10
14 3NW7 LGV 0.0103 0.44142 10.1351
15 3ZOD HQE 0.02883 0.40161 10.625
16 3HY9 098 0.02209 0.41549 11.875
17 1X1Z BMP 0.0128 0.44206 13.75
18 3MI2 PFU 0.03531 0.40592 14.375
19 4J1Q NDP 0.02817 0.41405 30.625
Pocket No.: 3; Query (leader) PDB : 3HRD; Ligand: MCN; Similar sites found: 85
This union binding pocket(no: 3) in the query (biounit: 3hrd.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.04131 0.40708 None
2 4L6H HCS 0.02248 0.42403 3.29412
3 1WRA PC 0.03839 0.40864 3.8961
4 3VPC ADP 0.01202 0.4038 3.90071
5 3W6X HZP 0.02362 0.41222 4.36681
6 4BG4 ARG 0.007448 0.44678 4.375
7 3M0J OAF 0.02055 0.41579 4.375
8 2DX7 CIT 0.02202 0.40706 4.375
9 4CYI ATP 0.0168 0.40311 4.375
10 2Q37 3AL 0.01127 0.43875 4.41989
11 1GOJ ADP 0.02606 0.42435 4.50704
12 4AG5 ADP 0.04161 0.40929 4.54545
13 3TW1 AHN 0.02737 0.41823 4.64135
14 2D2F ADP 0.008929 0.43345 4.8
15 3R75 BEZ 0.03019 0.41492 5
16 3OKP GDD 0.01972 0.40943 5.32995
17 2IYL GDP 0.03552 0.40347 5.6338
18 4N9Z V3L 0.005716 0.43402 5.88235
19 4FE2 ADP 0.01855 0.41429 5.88235
20 1G3Q ADP 0.02592 0.40696 5.90717
21 3LL5 IP8 0.01188 0.43931 6.0241
22 1VCO GLN 0.04213 0.407 6.06061
23 2ZX2 RAM 0.03766 0.40387 6.15385
24 1JLX GAL A2G MBN 0.03179 0.41421 6.25
25 3A3B RBF 0.04824 0.40003 6.31579
26 4TXE 38F 0.02457 0.40146 6.46258
27 5X8I SQZ 0.02799 0.4019 6.6474
28 3OTH TYD 0.02337 0.40251 6.66667
29 4MXP DB4 0.0156 0.41443 6.75676
30 4ME6 ADP 0.04294 0.40712 6.875
31 3EJW PAV 0.03809 0.40552 6.875
32 4QYS PLR 0.03375 0.40115 6.9697
33 2PZ8 APC 0.00785 0.412 7.04225
34 3M89 GSP 0.02356 0.40906 7.27273
35 3B9Q MLI 0.04641 0.41109 7.61589
36 2XT3 ADP 0.02665 0.42155 8.125
37 4LRJ ANP 0.02472 0.40133 8.125
38 4YMU ARG 0.01881 0.42825 8.33333
39 2YIP YIO 0.03727 0.40847 8.69565
40 4AMV F6R 0.02043 0.40534 8.75
41 1V2G OCA 0.03279 0.40178 8.75
42 3E70 GDP 0.03431 0.40078 8.75
43 4IDT T28 0.01367 0.41375 8.78378
44 1N07 ADP 0.01583 0.4043 9.20245
45 2HXW FLC 0.02038 0.4242 9.2827
46 5HVJ ANP 0.01747 0.4272 9.375
47 2W5P CL8 0.02805 0.41716 9.39597
48 2O1O RIS 0.01526 0.43184 9.51087
49 4UHF BUA 0.02321 0.40266 10
50 2YPI PGA 0.03528 0.40362 10.1215
51 4P86 5GP 0.03228 0.40213 10.625
52 3GGF GVD 0.03034 0.40017 10.625
53 3MMH SME 0.02106 0.41524 10.7784
54 2C04 GCP 0.01793 0.40485 11.4478
55 1Y7P RIP 0.02428 0.4223 11.6592
56 1LPD ADE 0.01637 0.42088 11.811
57 4MUV PCG 0.02653 0.40305 11.9718
58 4QAG F95 0.01408 0.40286 12.0301
59 1Q8Y ADP 0.009651 0.41105 12.5
60 4G2R H1L 0.02051 0.40209 12.5
61 3B6C SDN 0.01145 0.43776 12.8205
62 3VOT ADP 0.01509 0.42271 13.1757
63 3W68 4PT 0.02643 0.4103 13.75
64 3IO3 ADP 0.01439 0.4062 13.75
65 4JGP PYR 0.03012 0.41513 14.2857
66 2AKO ADP 0.01213 0.41624 14.741
67 2ZL4 ALA ALA ALA ALA 0.03462 0.41231 14.7959
68 4RJD TFP 0.02102 0.42122 15.1515
69 1P4V GLY 0.03699 0.41037 15.625
70 1XXR MAN 0.04771 0.40028 16.25
71 1NU4 MLA 0.03945 0.40373 16.4948
72 4EHQ GBL 0.01512 0.41944 16.8919
73 4JLS 3ZE 0.03337 0.41406 17.7632
74 4RHS SIA SIA GAL 0.01841 0.43324 18.0328
75 4P6G 2FZ 0.03046 0.40694 18.5841
76 1JS8 MAN MAN BMA 0.004477 0.46884 19.375
77 5E5U MLT 0.01239 0.46081 20
78 4PQG NAG 0.02659 0.41383 21.25
79 3GUZ PAF 0.02599 0.4112 22.1591
80 1DCP HBI 0.0263 0.40306 25
81 3NRZ MTE 0.0000000000002573 0.8865 44.2424
82 1FIQ MTE 0.00000001179 0.61442 44.2424
83 3NRZ HPA 0.00000001873 0.60106 44.2424
84 1FIQ SAL 0.00000002661 0.58991 44.2424
85 1V97 MTE 0.0000001331 0.50654 44.2424
Pocket No.: 4; Query (leader) PDB : 3HRD; Ligand: NIO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3hrd.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3HRD; Ligand: FAD; 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: 3hrd.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3HRD; Ligand: MCN; 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: 3hrd.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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