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2R5B

Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7

Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NH2 H 16
ChainResidue
ALEU32
HDLE12
HDCY13
HDAL14
HDAL15

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACE K 0
ChainResidue
LDAL3
LDCY4
CLEU32
KDLY1
KGLY2
LGLY2

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NH2 K 16
ChainResidue
BLEU29
KDLE12
KDCY13
KDAL14
KDAL15
KHOH32

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACE L 0
ChainResidue
BLEU32
BTRP35
KGLY2
KDAL3
KHOH17
LDLY1

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NH2 L 16
ChainResidue
CLEU32
LDLE12
LDCY13
LDAL14
LDAL15
LHOH20

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 B 47
ChainResidue
BGLN31
BHOH57
BHOH74
CTRP35
CLYS38
CGLN39
CHOH67
LDLY1
LHOH22

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 48
ChainResidue
BLYS28
CACE0
CARG1
LDLY1

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 47
ChainResidue
AACE0
AARG1
AMET2
ALYS3
AGLN4

site_idAC9
Number of Residues22
DetailsBINDING SITE FOR CHAIN H OF HIV ENTRY INHIBITOR PIE7
ChainResidue
ALEU32
ATRP35
AGLY36
ALEU40
AARG43
BGLN4
CVAL34
CILE37
CLYS38
CGLN41
CHOH53
HNH216
HHOH18
HHOH21
HHOH22
HHOH23
HHOH24
HHOH27
HHOH28
LDGN10
LDTR11
LDAL14

site_idBC1
Number of Residues28
DetailsBINDING SITE FOR CHAIN K OF HIV ENTRY INHIBITOR PIE7
ChainResidue
AVAL34
ALYS38
AGLN41
ANH246
BLYS3
BLEU29
BLEU32
BTRP35
BHOH53
CARG1
KACE0
KNH216
KHOH17
KHOH18
KHOH19
KHOH20
KHOH21
KHOH22
KHOH23
KHOH24
KHOH25
KHOH26
KHOH28
KHOH29
KHOH30
KHOH34
LACE0
LDAS5

site_idBC2
Number of Residues33
DetailsBINDING SITE FOR CHAIN L OF HIV ENTRY INHIBITOR PIE7
ChainResidue
BMET2
BLYS38
BGLN41
BSO447
BSO448
BHOH51
BHOH53
BHOH57
BHOH75
CARG1
CLEU32
CTRP35
HDTR11
HDAL14
HHOH25
KACE0
KGLY2
KDAS5
LACE0
LNH216
LHOH17
LHOH18
LHOH19
LHOH21
LHOH22
LHOH23
LHOH24
LHOH25
LHOH26
LHOH27
LHOH30
BACE0
BARG1

246031

PDB entries from 2025-12-10

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