POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1
(Homo
sapiens)		3 / 3CYH A 135
HIS A 134
PHE A 148
None
1.20A9.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		1x4k SKELETAL MUSCLE
LIM-PROTEIN 3
(Homo
sapiens)		3 / 3CYH A  36
HIS A  37
PHE A  34
 ZN  A 401 (-2.3A)
None
None
1.14A17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)		3 / 3CYH A 196
HIS A 192
PHE A 356
None
COA  A6001 (-4.5A)
COA  A6001 (-4.5A)
1.21A13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		2xxz LYSINE-SPECIFIC
DEMETHYLASE 6B
(Homo
sapiens)		3 / 3CYH A1422
HIS A1425
PHE A1421
None
0.96A13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		3bfo MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1 (ISOFORM
2)
(Homo
sapiens)		3 / 3CYH A 290
HIS A 291
PHE A 261
None
0.71A21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		3cuq VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 25
(Homo
sapiens)		3 / 3CYH C  41
HIS C  44
PHE C   5
None
1.14A22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		3k0w MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1, ISOFORM 2
(Homo
sapiens)		3 / 3CYH A 290
HIS A 291
PHE A 261
None
0.85A20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens)		3 / 3CYH A 241
HIS A 243
PHE A 240
None
1.10A17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A
(Homo
sapiens)		3 / 3CYH A 241
HIS A 243
PHE A 240
None
1.11A14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		3txo PROTEIN KINASE C ETA
TYPE
(Homo
sapiens)		3 / 3CYH A 493
HIS A 492
PHE A 415
None
0.67A14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		4d0n A-KINASE ANCHOR
PROTEIN 13
(Homo
sapiens)		3 / 3CYH B2105
HIS B2108
PHE B2104
None
1.05A13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		4d0o A-KINASE ANCHOR
PROTEIN 13
(Homo
sapiens)		3 / 3CYH A2105
HIS A2108
PHE A2104
None
1.13A20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		4joi CST COMPLEX SUBUNIT
STN1
(Homo
sapiens)		3 / 3CYH A  88
HIS A 148
PHE A  72
None
0.95A18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		4ns5 ZINC FINGER MYND
DOMAIN-CONTAINING
PROTEIN 11
(Homo
sapiens)		3 / 3CYH A 274
HIS A 353
PHE A 273
None
1.20A18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		4u9v N-ALPHA-ACETYLTRANSF
ERASE 40
(Homo
sapiens)		3 / 3CYH B 137
HIS B 123
PHE B 124
ACO  B 301 ( 4.3A)
None
None
1.14A20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		4wyq ENDORIBONUCLEASE
DICER
RISC-LOADING COMPLEX
SUBUNIT TARBP2
(Homo
sapiens;
Homo
sapiens)		3 / 3CYH B 337
HIS B 338
PHE A 353
None
1.00A22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE
(Homo
sapiens)		3 / 3CYH A 306
HIS A 307
PHE A 331
None
C5P  A 401 (-3.4A)
None
1.18A13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5bqd T-BOX TRANSCRIPTION
FACTOR TBX5
(Homo
sapiens)		3 / 3CYH A 202
HIS A 184
PHE A 201
None
1.14A17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5din LIGAND OF NUMB
PROTEIN X 2
(Homo
sapiens)		3 / 3CYH A  31
HIS A  32
PHE A  50
 ZN  A 201 (-2.3A)
None
None
1.14A17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5h7s E3 UBIQUITIN-PROTEIN
LIGASE LNX
(Homo
sapiens)		3 / 3CYH D 101
HIS D 100
PHE D  97
 ZN  D 204 (-2.3A)
None
None
1.00A21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5k8d COAGULATION FACTOR
VIII
(Homo
sapiens)		3 / 3CYH A 310
HIS A 311
PHE A 270
 CU  A 808 (-2.2A)
None
None
0.93A9.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5lst ATP-DEPENDENT DNA
HELICASE Q4
(Homo
sapiens)		3 / 3CYH A 636
HIS A 635
PHE A 637
None
1.15A9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5mgv PHENYLALANINE--TRNA
LIGASE,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3CYH A 377
HIS A 376
PHE A 333
None
1.17A13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5mv9 UNCONVENTIONAL
MYOSIN-VIIA
(Homo
sapiens)		3 / 3CYH A2182
HIS A2168
PHE A2167
None
1.06A11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG
(Homo
sapiens)		3 / 3CYH A 750
HIS A 749
PHE A 748
919  A1101 ( 4.4A)
None
None
1.21Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1byw PROTEIN (HUMAN ERG
POTASSIUM CHANNEL)
(Homo
sapiens)		3 / 3PHE A  48
CYH A  52
PHE A 106
None
1.07A18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1dmw PHENYLALANINE
HYDROXYLASE
(Homo
sapiens)		3 / 3PHE A 233
CYH A 217
PHE A 219
None
0.82A14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1e50 CORE-BINDING FACTOR
CBF-BETA
(Homo
sapiens)		3 / 3PHE B  44
CYH B  48
PHE B  68
None
0.70A21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1
(Homo
sapiens)		3 / 3PHE A 386
CYH A 275
PHE A 333
None
1.02A11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1
(Homo
sapiens)		3 / 3PHE A 386
CYH A 275
PHE A 337
None
1.09A11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1
(Homo
sapiens)		3 / 3PHE A 120
CYH A 179
PHE A 181
None
1.13A18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A
(Homo
sapiens)		3 / 3PHE A 330
CYH A 263
PHE A 402
None
0.91A21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		1zd1 SULFOTRANSFERASE 4A1
(Homo
sapiens)		3 / 3PHE A 265
CYH A 162
PHE A 158
None
1.09A14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		2d86 VAV-3 PROTEIN
(Homo
sapiens)		3 / 3PHE A  85
CYH A  89
PHE A  93
None
0.92A22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		2ebz REGULATOR OF
G-PROTEIN SIGNALING
12
(Homo
sapiens)		3 / 3PHE A  47
CYH A  51
PHE A 106
None
1.06A21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN
(Homo
sapiens)		3 / 3PHE A 667
CYH A 712
PHE A 713
None
1.14A13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		3ky9 PROTO-ONCOGENE VAV
(Homo
sapiens)		3 / 3PHE A  78
CYH A  82
PHE A  86
None
1.06A10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		3 / 3PHE B 657
CYH B 709
PHE B 722
None
1.08A14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		3rgh FILAMIN-A
(Homo
sapiens)		3 / 3PHE A 243
CYH A 165
PHE A 181
None
1.13A15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		3 / 3PHE A 199
CYH A 268
PHE A 269
None
0.92A13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		4crs SERINE/THREONINE-PRO
TEIN KINASE N2
(Homo
sapiens)		3 / 3PHE A 761
CYH A 765
PHE A 719
None
1.14A14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		4fmu HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2
(Homo
sapiens)		3 / 3PHE A1454
CYH A1623
PHE A1626
None
None
0UM  A1804 (-4.7A)
0.95A19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG
(Homo
sapiens)		3 / 3PHE A 206
CYH A 263
PHE A 215
None
1.15A16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG
(Homo
sapiens)		3 / 3PHE A 206
CYH A 263
PHE A 265
None
1.06A16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		4zk3 SERPIN B3
(Homo
sapiens)		3 / 3PHE A 369
CYH A 365
PHE A 200
None
1.13A14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		3 / 3PHE A1274
CYH A1277
PHE A1281
None
0.96A5.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5fwj HISTONE DEMETHYLASE
JARID1C
(Homo
sapiens)		3 / 3PHE A  17
CYH A  44
PHE A 597
None
0.99A11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1
(Homo
sapiens)		3 / 3PHE A 172
CYH A 174
PHE A 206
None
1.14A16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5l3x NEGATIVE ELONGATION
FACTOR C/D
(Homo
sapiens)		3 / 3PHE B 578
CYH B 582
PHE B 586
None
None
CL  B 601 ( 4.8A)
0.96A14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A
(Homo
sapiens)		3 / 3PHE A  22
CYH A  49
PHE A 566
None
0.98A7.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)		3 / 3PHE A 897
CYH A 901
PHE A 954
None
1.10Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
(Homo
sapiens)		3 / 3PHE A 255
CYH A 259
PHE A 239
None
1.06A17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN
(Homo
sapiens)		3 / 3PHE A  22
CYH A  49
PHE A 566
None
1.09Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		3 / 3PHE A 463
CYH A 467
PHE A 420
None
1.12Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B
(Homo
sapiens)		3 / 3PHE A  35
CYH A  62
PHE A 582
None
1.02Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		1cm0 P300/CBP ASSOCIATING
FACTOR
(Homo
sapiens)		3 / 3CYH B 574
PHE B 573
PHE B 522
COA  B 700 (-3.1A)
None
None
1.01A20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		1xb7 STEROID HORMONE
RECEPTOR ERR1
(Homo
sapiens)		3 / 3CYH A 325
PHE A 328
PHE A 510
None
1.04A15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		2b5n DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1
(Homo
sapiens)		3 / 3CYH A 604
PHE A 612
PHE A 614
None
0.96A12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		2bkr SENTRIN-SPECIFIC
PROTEASE 8
(Homo
sapiens)		3 / 3CYH A 175
PHE A 178
PHE A 179
None
1.07A16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		2gzk SEX-DETERMINING
REGION ON Y / HMGB1
(Homo
sapiens;
Rattus
rattus)		3 / 3CYH A 100
PHE A  97
PHE A  96
None
0.89A18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		2kjd SODIUM/HYDROGEN
EXCHANGE REGULATORY
COFACTOR NHE-RF1
(Homo
sapiens)		3 / 3CYH A 100
PHE A  97
PHE A  96
None
0.77A20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		2rv1 ZINC FINGER PROTEIN
ZFAT
(Homo
sapiens)		3 / 3CYH A  12
PHE A  17
PHE A  19
 ZN  A 101 (-2.1A)
None
None
1.07A19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE
(Homo
sapiens)		3 / 3CYH A 385
PHE A 384
PHE A 413
None
0.95A12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN
(Homo
sapiens)		3 / 3CYH A 631
PHE A 630
PHE A 639
None
0.83A13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		3knb OBSCURIN-LIKE
PROTEIN 1
(Homo
sapiens)		3 / 3CYH B  35
PHE B  19
PHE B  16
None
0.82A18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Homo
sapiens;
Escherichia
virus
T4)		3 / 3CYH A 254
PHE A 257
PHE A 258
None
0.58A11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B
(Homo
sapiens)		3 / 3CYH A  53
PHE A  52
PHE A  72
None
0.88A14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		3zjc GTPASE IMAP FAMILY
MEMBER 7
(Homo
sapiens)		3 / 3CYH A 165
PHE A 131
PHE A 142
None
1.09A14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		4a1g MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
(Homo
sapiens)		3 / 3CYH A  72
PHE A  75
PHE A  85
None
0.96A19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
(Homo
sapiens)		3 / 3CYH A2020
PHE A2019
PHE A2023
None
0.98A8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		4gbr BETA-2 ADRENERGIC
RECEPTOR
(Homo
sapiens)		3 / 3CYH A 299
PHE A 304
PHE A 308
None
1.07A14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)		3 / 3CYH A 193
PHE A 196
PHE A 339
None
0.82A14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		3 / 3CYH A1277
PHE A1280
PHE A1281
None
0.82A5.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
(Homo
sapiens)		3 / 3CYH A2020
PHE A2019
PHE A2023
None
1.05A12.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens)		3 / 3CYH A 254
PHE A 257
PHE A 258
None
0.63A14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)		3 / 3CYH C 703
PHE C 707
PHE C 704
None
0.90A2.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens)		3 / 3CYH A 254
PHE A 257
PHE A 258
CLR  A1203 (-4.0A)
None
None
0.69Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4
(Homo
sapiens)		3 / 3CYH A 911
PHE A 962
PHE A 912
None
0.89Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		6d6q EXOSOME RNA HELICASE
MTR4
(Homo
sapiens)		3 / 3CYH M 911
PHE M 962
PHE M 912
None
1.04Aundetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1elv COMPLEMENT C1S
COMPONENT
(Homo
sapiens)		7 / 11HIS A 460
ASP A 611
SER A 612
SER A 617
TRP A 640
GLY A 641
GLY A 648
SO4  A2001 ( 3.9A)
None
None
SO4  A2001 ( 2.7A)
None
None
None
0.38A30.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1fxy COAGULATION FACTOR
XA-TRYPSIN CHIMERA
(Homo
sapiens)		8 / 11HIS A  57
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
0G6  A   1 (-2.7A)
0G6  A   1 (-2.8A)
0G6  A   1 (-2.8A)
0G6  A   1 (-3.8A)
0G6  A   1 (-1.4A)
None
0G6  A   1 (-3.9A)
0G6  A   1 (-3.3A)
0.48A55.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1gvl KALLIKREIN 6
(Homo
sapiens)		5 / 11HIS A  57
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
0.57A44.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1h4w TRYPSIN IVA
(Homo
sapiens)		9 / 11HIS A  57
LEU A  99
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
None
BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.8A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
0.69A72.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1o5f SERINE PROTEASE
HEPSIN
(Homo
sapiens)		7 / 11HIS H  57
GLN H 175
ASP H 189
SER H 195
TRP H 215
GLY H 216
GLY H 226
CR9  H 256 (-3.9A)
None
CR9  H 256 (-2.4A)
CR9  H 256 (-1.5A)
None
CR9  H 256 ( 3.8A)
CR9  H 256 (-3.0A)
0.63A41.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1orf GRANZYME A
(Homo
sapiens)		6 / 11HIS A  57
ASP A 189
SER A 190
SER A 195
GLY A 216
GLY A 226
0G6  A   1 (-2.7A)
0G6  A   1 (-2.9A)
0G6  A   1 (-2.9A)
0G6  A   1 (-1.3A)
0G6  A   1 (-3.3A)
0G6  A   1 (-3.5A)
0.39A35.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2
(Homo
sapiens)		7 / 11HIS A 483
ASP A 627
SER A 628
SER A 633
TRP A 655
GLY A 656
GLY A 667
None
NA  A 800 ( 4.6A)
GOL  A 701 (-3.4A)
GOL  A 701 (-3.0A)
None
GOL  A 701 ( 4.1A)
GOL  A 701 ( 4.0A)
0.30A29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1spj KALLIKREIN 1
(Homo
sapiens)		5 / 11HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
None
0.60A42.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1spj KALLIKREIN 1
(Homo
sapiens)		5 / 11HIS A  57
GLN A 174
ASP A 189
TRP A 215
GLY A 216
None
0.93A42.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2
(Homo
sapiens)		5 / 11HIS A 483
SER A 633
TRP A 655
GLY A 656
GLY A 667
None
0.63A26.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1zlr COAGULATION FACTOR
XI
(Homo
sapiens)		6 / 11HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
368  A 901 (-4.0A)
368  A 901 (-2.8A)
368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
0.24A39.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2ei8 COAGULATION FACTOR
X, HEAVY CHAIN
(Homo
sapiens)		6 / 11HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
DT8  A 700 (-3.5A)
DT8  A 700 ( 3.9A)
DT8  A 700 (-3.9A)
DT8  A 700 (-3.5A)
DT8  A 700 (-3.5A)
0.53A38.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2oby PUTATIVE QUINONE
OXIDOREDUCTASE
(Homo
sapiens)		5 / 11HIS A 314
LEU A  39
GLN A  46
GLY A  62
GLY A  94
None
1.20A21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens)		7 / 11HIS A  57
ASP A 189
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
BEN  A 245 (-3.0A)
BEN  A 245 (-4.4A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
0.40A37.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2pks THROMBIN HEAVY CHAIN
FRAGMENT
(Homo
sapiens)		5 / 11ASP C 229
SER C 235
TRP C 257
GLY C 258
GLY C 268
G44  C 101 (-2.6A)
G44  C 101 (-3.5A)
G44  C 101 (-4.1A)
G44  C 101 (-3.3A)
G44  C 101 (-3.0A)
0.33A21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2psy KALLIKREIN-5
(Homo
sapiens)		9 / 11HIS A  57
GLN A 174
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
0.69A47.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2qy0 COMPLEMENT C1R
SUBCOMPONENT
(Homo
sapiens)		6 / 11HIS B 485
ASP B 631
SER B 637
TRP B 659
GLY B 660
GLY B 668
None
0.45A32.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR
(Homo
sapiens)		6 / 11HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
0.32A37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2r2w PLASMINOGEN
ACTIVATOR, UROKINASE
(Homo
sapiens)		7 / 11HIS U  57
ASP U 189
SER U 190
GLN U 192
TRP U 215
GLY U 216
GLY U 226
4PG  U 300 (-3.9A)
4PG  U 300 (-2.8A)
4PG  U 300 (-2.7A)
4PG  U 300 (-3.7A)
None
4PG  U 300 (-3.3A)
4PG  U 300 (-3.2A)
0.48A39.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2r2w PLASMINOGEN
ACTIVATOR, UROKINASE
(Homo
sapiens)		7 / 11HIS U  57
SER U 190
GLN U 192
SER U 195
TRP U 215
GLY U 216
GLY U 226
4PG  U 300 (-3.9A)
4PG  U 300 (-2.7A)
4PG  U 300 (-3.7A)
4PG  U 300 (-3.5A)
None
4PG  U 300 (-3.3A)
4PG  U 300 (-3.2A)
0.65A39.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2wpm COAGULATION FACTOR
IXA HEAVY CHAIN
(Homo
sapiens)		8 / 11HIS S  57
ASP S 189
SER S 190
GLN S 192
SER S 195
TRP S 215
GLY S 216
GLY S 226
None
0.71A41.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2zec TRYPTASE BETA 2
(Homo
sapiens)		7 / 11HIS A  59
ASP A 203
SER A 204
SER A 209
TRP A 229
GLY A 230
GLY A 240
None
11N  A   1 (-2.6A)
11N  A   1 (-3.5A)
11N  A   1 (-3.3A)
None
11N  A   1 (-3.9A)
11N  A   1 (-3.6A)
0.33A40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN
(Homo
sapiens)		6 / 11HIS H  57
ASP H 189
SER H 195
TRP H 215
GLY H 216
GLY H 226
0G6  H   1 (-3.2A)
0G6  H   1 (-2.8A)
0G6  H   1 (-1.8A)
0G6  H   1 (-4.1A)
0G6  H   1 (-3.8A)
0G6  H   1 ( 3.9A)
0.56A36.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		3gov MASP-1
(Homo
sapiens)		6 / 11HIS B 490
ASP B 640
SER B 646
TRP B 668
GLY B 669
GLY B 679
None
0.48A35.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		3gym PROSTASIN
(Homo
sapiens)		7 / 11HIS A  57
ASP A 189
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
0.58A40.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		3r3g THROMBIN HEAVY CHAIN
(Homo
sapiens)		7 / 11HIS B  57
LEU B  99
ASP B 189
SER B 195
TRP B 215
GLY B 216
GLY B 226
None
0.48A37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN
(Homo
sapiens)		6 / 11HIS A  41
ASP A 181
SER A 182
GLN A 184
GLY A 208
GLY A 218
None
0.30A37.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN
(Homo
sapiens)		6 / 11HIS A  41
ASP A 181
SER A 182
SER A 187
GLY A 208
GLY A 218
None
0.63A37.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN
(Homo
sapiens)		6 / 11HIS H 483
ASP H 627
SER H 628
TRP H 655
GLY H 656
GLY H 667
None
0.59A36.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3
(Homo
sapiens)		6 / 11HIS E 478
ASP E 639
SER E 645
TRP E 667
GLY E 668
GLY E 680
None
0.58A34.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4k8y KALLIKREIN-4
(Homo
sapiens)		6 / 11HIS A  57
ASP A 189
SER A 190
SER A 195
GLY A 216
GLY A 226
None
0.43A40.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4k8y KALLIKREIN-4
(Homo
sapiens)		5 / 11LEU A  99
ASP A 189
SER A 190
GLY A 216
GLY A 226
None
0.76A40.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4nff KALLIKREIN-2
(Homo
sapiens)		5 / 11HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
0G6  A 301 (-2.7A)
0G6  A 301 (-3.0A)
0G6  A 301 (-1.4A)
0G6  A 301 (-3.7A)
0G6  A 301 (-3.4A)
0.63A43.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens)		8 / 11HIS A  57
GLN A 175
ASP A 189
SER A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
3KM  A 900 ( 4.4A)
None
3KM  A 900 (-2.9A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
0.50A40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4wwy TRYPSIN-1
(Homo
sapiens)		9 / 11HIS A  57
LEU A  99
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
0.59A74.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4ylq COAGULATION FACTOR
VII
(Homo
sapiens)		7 / 11HIS H  57
ASP H 189
SER H 190
SER H 195
TRP H 215
GLY H 216
GLY H 226
0Z7  H 501 (-2.6A)
0Z7  H 501 (-2.3A)
0Z7  H 501 (-2.3A)
0Z7  H 501 (-1.4A)
TMA  H 508 ( 3.9A)
0Z7  H 501 (-3.4A)
0Z7  H 501 (-3.0A)
0.40A40.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR
(Homo
sapiens)		5 / 11HIS E  57
ASP E 189
TRP E 215
GLY E 216
GLY E 226
None
0.44A37.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5eod COAGULATION FACTOR
XI
(Homo
sapiens)		5 / 11HIS A 413
SER A 557
TRP A 577
GLY A 578
GLY A 588
None
0.74A20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5f8z PLASMA KALLIKREIN
LIGHT CHAIN
(Homo
sapiens)		6 / 11HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
0.42A41.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5ms3 KALLIKREIN-8
(Homo
sapiens)		7 / 11HIS A  57
GLN A 175
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
None
0.62Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5to3 PROTHROMBIN,THROMBOM
ODULIN
(Homo
sapiens)		6 / 11HIS B  58
LEU B 111
ASP B 214
SER B 220
GLY B 243
GLY B 253
0G6  B 501 (-2.5A)
0G6  B 501 ( 3.8A)
0G6  B 501 (-2.9A)
0G6  B 501 (-1.3A)
0G6  B 501 (-3.7A)
0G6  B 501 (-3.6A)
0.38A27.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5ubm COMPLEMENT C1S
SUBCOMPONENT
(Homo
sapiens)		7 / 11HIS A 475
ASP A 626
SER A 627
SER A 632
TRP A 655
GLY A 656
GLY A 663
None
0.52A34.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		6b74 COAGULATION FACTOR
XII
(Homo
sapiens)		6 / 11HIS B  57
ASP B 189
SER B 195
TRP B 215
GLY B 216
GLY B 226
SO4  B 304 (-3.8A)
BEN  B 301 (-2.7A)
SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
0.31Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		1now BETA-HEXOSAMINIDASE
BETA CHAIN
(Homo
sapiens)		5 / 12ASP A 354
TYR A 450
ASP A 452
TRP A 489
GLY A 490
IFG  A 557 (-3.6A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.2A)
IFG  A 557 (-3.6A)
None
1.38A20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens)		5 / 12TYR A 176
TYR A 384
ASP A 386
GLY A 390
ASN A 470
None
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 2.6A)
None
PAQ  A 471 ( 3.3A)
0.82A39.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3bvh FIBRINOGEN BETA
CHAIN
(Homo
sapiens)		5 / 12ASP B 398
GLY B 434
SER B 446
VAL B 436
TYR B 417
None
1.40A15.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		12 / 12TYR A 148
THR A 185
ASP A 186
TYR A 371
ASP A 373
TRP A 376
GLY A 377
SER A 380
VAL A 381
TYR A 404
TYR A 459
ASN A 460
BRN  A 901 (-3.7A)
BRN  A 901 ( 4.2A)
BRN  A 901 (-3.9A)
BRN  A 901 (-3.3A)
BRN  A 901 (-3.3A)
BRN  A 901 (-3.5A)
None
None
None
None
BRN  A 901 (-3.2A)
TPQ  A 461 ( 3.3A)
0.38A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		6 / 12TYR A 148
THR A 185
ASP A 373
GLY A 375
TYR A 459
ASN A 460
BRN  A 901 (-3.7A)
BRN  A 901 ( 4.2A)
BRN  A 901 (-3.3A)
None
BRN  A 901 (-3.2A)
TPQ  A 461 ( 3.3A)
1.42A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens)		5 / 12TYR A 176
TYR A 384
ASP A 386
GLY A 390
ASN A 470
None
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 2.6A)
None
PAQ  A 471 ( 3.3A)
0.78A39.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3bvh FIBRINOGEN BETA
CHAIN
(Homo
sapiens)		5 / 12ASP B 398
GLY B 434
SER B 446
VAL B 436
TYR B 417
None
1.38A15.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		12 / 12TYR A 148
THR A 185
ASP A 186
TYR A 371
ASP A 373
TRP A 376
GLY A 377
SER A 380
VAL A 381
TYR A 404
TYR A 459
ASN A 460
BRN  A 901 (-3.7A)
BRN  A 901 ( 4.2A)
BRN  A 901 (-3.9A)
BRN  A 901 (-3.3A)
BRN  A 901 (-3.3A)
BRN  A 901 (-3.5A)
None
None
None
None
BRN  A 901 (-3.2A)
TPQ  A 461 ( 3.3A)
0.36A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		6 / 12TYR A 148
THR A 185
ASP A 373
GLY A 375
TYR A 459
ASN A 460
BRN  A 901 (-3.7A)
BRN  A 901 ( 4.2A)
BRN  A 901 (-3.3A)
None
BRN  A 901 (-3.2A)
TPQ  A 461 ( 3.3A)
1.45A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		4uta BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE1
C8 HEAVY CHAIN
(Homo
sapiens)		5 / 12TYR H  95
TRP H 112
GLY H  98
SER H  33
TYR H 107
None
1.50A16.67