Detail Information of Inter-species Structural Difference

General Information of Drug Transporter (DT)
DT ID DTD0455 Transporter Info
Gene Name SLC6A3
Protein Name Sodium-dependent dopamine transporter
Gene ID
6531
UniProt ID
Q01959
3D Structure

Modelled Stucture

Method:Homology modeling

Teplate PDB:4XPB_A

Identity:55.354%

Minimized Score:-1503.772

Detail: Structure Info

Inter-species Structural Differences (ISD)
Drosophila melanogaster (Fruit fly)
        Gene Name DAT
        UniProt ID
Q7K4Y6
        UniProt Entry
DAT_DROME
        3D Structure

Crystallisation Method:X-ray

Expression System:Homo sapiens,?Mus musculus

PDB ID:4XP4

Corresponding Chain:A

Sequence Length:21-601
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        Experimental Structures of This Model Oganism
                PDB ID Scanning Method Resolution Expression System Details Ref
                4XP1 X-ray 2.89 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain A
Sequence Length 25-600 Mutation Yes
                4XP5 X-ray 3.3 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain A
Sequence Length 25-599 Mutation Yes
                4XP6 X-ray 3.1 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain A
Sequence Length 25-599 Mutation Yes
                4XP9 X-ray 2.8 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain C
Sequence Length 25-601 Mutation Yes
                4XPA X-ray 2.95 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain A
Sequence Length 21-601 Mutation No
                4XPB X-ray 3.05 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain A
Sequence Length 21-601 Mutation Yes
                4XPF X-ray 3.27 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain A
Sequence Length 21-601 Mutation No
                4XPG X-ray 3.21 Å Homo sapiens,?Mus musculus
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[ 1]
Structure
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Corresponding chain A
Sequence Length 21-601 Mutation No
Bos taurus (Bovine)
        Gene Name SLC6A3
        UniProt ID
P27922
        UniProt Entry
SC6A3_BOVIN
        3D Structure

Method:Homology modeling

Teplate PDB:4XPB_A

Sequence Length:545

Identity:53.846%

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        Performance Minimized Score -1523.229 kcal/mol
Ramachandra Favored

Excellent

QMEANBrane Quality

High
        Ramachandran Plot

Ramz Z Score:-0.93 ±0.32

Residues in Favored Region:537

Ramachandran favored:98.90%

Number of Outliers:0

Ramachandran outliers:0.00%
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        Local Quality

QMEANBrane Score:0.82
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References
1 Neurotransmitter and psychostimulant recognition by the dopamine transporter. Nature. 2015 May 21;521(7552):322-7.
2 X-ray structure of dopamine transporter elucidates antidepressant mechanism. Nature. 2013 Nov 7;503(7474):85-90.
3 X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine. Nat Struct Mol Biol. 2015 Jun;22(6):506-508.
4 Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun. 2021;12(1):2199.
5 Structural insights into GABA transport inhibition using an engineered neurotransmitter transporter. EMBO J. 2022;41(15):e110735.
6 Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J Neurochem. 2024;168(9):2043-2055.

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