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eF-site ID
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2i78-CD |
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PDB Code
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2i78 |
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Chain
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C, D |
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click to enlarge
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Title
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Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor |
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Classification
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HYDROLASE |
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Compound
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Dipeptidyl peptidase IV |
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Source
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Homo sapiens (Human) (DPP4_HUMAN) |
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Sequence
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C: |
SRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILV
FNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEY
NYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWS
PVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGI
TDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEY
SFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSS
VTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRR
IQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFR
PSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFIT
KGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSD
YTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLP
LYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFII
LNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTV
FRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRL
GTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSM
VLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPED
NLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQ
ISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHF
IKQCFS
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| D: |
SRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILV
FNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEY
NYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWS
PVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGI
TDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEY
SFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSS
VTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRR
IQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFR
PSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFIT
KGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSD
YTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLP
LYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFII
LNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTV
FRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRL
GTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSM
VLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPED
NLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQ
ISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHF
IKQCFS
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Description
|
(1) |
Dipeptidyl peptidase 4 (EC 3.4.14.5) (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP)
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Functional site
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|
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1)
|
chain |
C |
| residue |
547 |
| type |
catalytic |
| sequence |
Y
|
| description |
169
|
| source |
MCSA : MCSA3
|
|
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2)
|
chain |
C |
| residue |
630 |
| type |
catalytic |
| sequence |
S
|
| description |
169
|
| source |
MCSA : MCSA3
|
|
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3)
|
chain |
C |
| residue |
631 |
| type |
catalytic |
| sequence |
Y
|
| description |
169
|
| source |
MCSA : MCSA3
|
|
|
4)
|
chain |
C |
| residue |
708 |
| type |
catalytic |
| sequence |
D
|
| description |
169
|
| source |
MCSA : MCSA3
|
|
|
5)
|
chain |
C |
| residue |
740 |
| type |
catalytic |
| sequence |
H
|
| description |
169
|
| source |
MCSA : MCSA3
|
|
|
6)
|
chain |
D |
| residue |
547 |
| type |
catalytic |
| sequence |
Y
|
| description |
169
|
| source |
MCSA : MCSA4
|
|
|
7)
|
chain |
D |
| residue |
630 |
| type |
catalytic |
| sequence |
S
|
| description |
169
|
| source |
MCSA : MCSA4
|
|
|
8)
|
chain |
D |
| residue |
631 |
| type |
catalytic |
| sequence |
Y
|
| description |
169
|
| source |
MCSA : MCSA4
|
|
|
9)
|
chain |
D |
| residue |
708 |
| type |
catalytic |
| sequence |
D
|
| description |
169
|
| source |
MCSA : MCSA4
|
|
|
10)
|
chain |
D |
| residue |
740 |
| type |
catalytic |
| sequence |
H
|
| description |
169
|
| source |
MCSA : MCSA4
|
|
|
11)
|
chain |
D |
| residue |
630 |
| type |
ACT_SITE |
| sequence |
S
|
| description |
Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
12)
|
chain |
D |
| residue |
708 |
| type |
ACT_SITE |
| sequence |
D
|
| description |
Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
13)
|
chain |
D |
| residue |
740 |
| type |
ACT_SITE |
| sequence |
H
|
| description |
Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
14)
|
chain |
C |
| residue |
630 |
| type |
ACT_SITE |
| sequence |
S
|
| description |
Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
15)
|
chain |
C |
| residue |
708 |
| type |
ACT_SITE |
| sequence |
D
|
| description |
Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
16)
|
chain |
C |
| residue |
740 |
| type |
ACT_SITE |
| sequence |
H
|
| description |
Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
17)
|
chain |
C |
| residue |
85 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
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18)
|
chain |
C |
| residue |
229 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
19)
|
chain |
D |
| residue |
85 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
20)
|
chain |
D |
| residue |
229 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
21)
|
chain |
C |
| residue |
92 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
22)
|
chain |
D |
| residue |
92 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
23)
|
chain |
C |
| residue |
150 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
24)
|
chain |
D |
| residue |
150 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
25)
|
chain |
C |
| residue |
219 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI5
|
|
|
26)
|
chain |
D |
| residue |
219 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI5
|
|
|
27)
|
chain |
C |
| residue |
281 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI6
|
|
|
28)
|
chain |
D |
| residue |
281 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI6
|
|
|
29)
|
chain |
C |
| residue |
321 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI7
|
|
|
30)
|
chain |
D |
| residue |
321 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI7
|
|
|
31)
|
chain |
C |
| residue |
520 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI8
|
|
|
32)
|
chain |
D |
| residue |
520 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72
|
| source |
Swiss-Prot : SWS_FT_FI8
|
|
|
33)
|
chain |
C |
| residue |
685 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218
|
| source |
Swiss-Prot : SWS_FT_FI9
|
|
|
34)
|
chain |
D |
| residue |
685 |
| type |
CARBOHYD |
| sequence |
N
|
| description |
N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218
|
| source |
Swiss-Prot : SWS_FT_FI9
|
|
|
|