3I5D

crystal structure of the atp-gated p2x4 ion channel in the closed, apo state at 3.5 angstroms (r3)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 200
  • Norm. En. per Res.: -2.1938
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-57.4242	-61.1255	-320.214	-438.7638	200	21	20	15335	6	49	56
A-C	-33.1991	-24.4476	-341.938	-399.5846	208	29	19	16558	6	50	57
B-C	-41.3408	-19.6104	-348.019	-408.9702	204	24	20	16570	6	48	57

Interface residues

• A-B: ALA142A, ALA292A, ALA300A, ALA300B, ALA344A, ALA344B, ALA347A, ALA347B, ALA75B, ALA90B, ARG137A, ARG143A, ARG148A, ARG197B, ARG206B, ARG261A, ARG280A, ARG281A, ARG298A, ARG312A, ARG312B, ARG321A, ARG85B, ASN140A, ASN187B, ASN195B, ASN202B, ASN204B, ASN211B, ASN213B, ASN284A, ASN289A, ASN290A, ASN296A, ASN305A, ASN305B, ASN334B, ASN341A, ASN341B, ASN54A, ASN78B, ASP141A, ASP145A, ASP184B, ASP283A, ASP286A, ASP288A, ASP307A, ASP323A, ASP61B, ASP88B, ASP91B, ASP99A, ASP99B, CYS220B, CYS230B, GLN114A, GLN116A, GLN259A, GLN97A, GLN97B, GLU121A, GLU171A, GLU310A, GLU84B, GLU98A, GLU98B, GLY100A, GLY100B, GLY138A, GLY144A, GLY146A, GLY257A, GLY294A, GLY308A, GLY328A, GLY343A, GLY343B, GLY345A, GLY345B, GLY350A, GLY56A, GLY73B, HIS219B, ILE192B, ILE196B, ILE208B, ILE212B, ILE232B, ILE315A, ILE315B, ILE335B, ILE336B, ILE342A, ILE342B, ILE74B, ILE86B, ILE93B, ILE94B, LEU165A, LEU170A, LEU191B, LEU209B, LEU217B, LEU282A, LEU314A, LEU339A, LEU339B, LEU340A, LEU340B, LEU346A, LEU346B, LEU348A, LEU348B, LEU349A, LEU351A, LEU64B, LEU76B, LEU82B, LYS118A, LYS193B, LYS200B, LYS205B, LYS285A, LYS301A, LYS301B, LYS304A, LYS304B, LYS316A, LYS70B, LYS72B, MET256A, MET325A, PHE102A, PHE103A, PHE188B, PHE203B, PHE297A, PHE299A, PHE322A, PHE327A, PRO199B, PRO210B, PRO231B, PRO287A, PRO293A, PRO337A, PRO337B, PRO95A, PRO95B, PRO96A, PRO96B, SER101A, SER117A, SER166A, SER214B, SER215B, SER306A, SER306B, SER65B, SER66B, THR115A, THR149A, THR218B, THR278A, THR311A, THR311B, THR313A, THR313B, THR62A, THR62B, THR68B, THR69B, THR77B, TRP167A, TRP87B, TYR198B, TYR216B, TYR295A, TYR302A, TYR302B, TYR303A, TYR303B, TYR45A, TYR49A, TYR53A, TYR92B, VAL147A, VAL164A, VAL255A, VAL291A, VAL324A, VAL352A, VAL42A, VAL46A, VAL50A, VAL63B, VAL67B, VAL71B, VAL89B
• A-C: ALA142C, ALA292C, ALA300A, ALA300C, ALA344A, ALA344C, ALA347A, ALA347C, ALA75A, ALA90A, ARG143C, ARG148C, ARG197A, ARG206A, ARG261C, ARG280C, ARG281C, ARG298C, ARG312A, ARG312C, ARG321C, ARG85A, ASN140C, ASN187A, ASN194A, ASN195A, ASN202A, ASN204A, ASN211A, ASN213A, ASN284C, ASN289C, ASN290C, ASN296C, ASN305A, ASN305C, ASN334A, ASN341A, ASN341C, ASN54C, ASN78A, ASP141C, ASP145C, ASP184A, ASP263C, ASP283C, ASP286C, ASP288C, ASP307A, ASP307C, ASP323C, ASP61A, ASP88A, ASP91A, ASP99A, ASP99C, CYS168C, CYS220A, CYS230A, GLN114C, GLN116C, GLN259C, GLN97A, GLN97C, GLU121C, GLU171C, GLU310C, GLU84A, GLU98A, GLU98C, GLY100A, GLY100C, GLY138C, GLY144C, GLY146C, GLY254C, GLY257C, GLY294C, GLY308C, GLY328C, GLY343A, GLY343C, GLY345A, GLY345C, GLY350C, GLY56C, GLY73A, HIS219A, ILE192A, ILE196A, ILE208A, ILE212A, ILE232A, ILE315A, ILE315C, ILE335A, ILE336A, ILE342A, ILE342C, ILE74A, ILE86A, ILE93A, ILE94A, LEU165C, LEU170C, LEU191A, LEU209A, LEU217A, LEU282C, LEU314C, LEU339A, LEU339C, LEU340A, LEU340C, LEU346A, LEU346C, LEU348A, LEU348C, LEU349A, LEU349C, LEU351C, LEU64A, LEU76A, LEU82A, LYS118C, LYS193A, LYS200A, LYS205A, LYS285C, LYS301A, LYS301C, LYS304A, LYS304C, LYS316C, LYS70A, LYS72A, MET256C, MET325C, PHE102C, PHE103C, PHE188A, PHE203A, PHE297C, PHE299A, PHE299C, PHE322C, PHE327C, PRO199A, PRO210A, PRO231A, PRO287C, PRO293C, PRO337A, PRO337C, PRO95A, PRO95C, PRO96A, PRO96C, SER101A, SER101C, SER117C, SER166C, SER214A, SER215A, SER306A, SER306C, SER65A, SER66A, THR115C, THR218A, THR311A, THR311C, THR313A, THR313C, THR338A, THR338C, THR62A, THR62C, THR68A, THR69A, THR77A, TRP167C, TRP87A, TYR198A, TYR216A, TYR295C, TYR302A, TYR302C, TYR303A, TYR303C, TYR45C, TYR49C, TYR53C, TYR92A, VAL147C, VAL164C, VAL255C, VAL291C, VAL326C, VAL352C, VAL354C, VAL42C, VAL46C, VAL50C, VAL63A, VAL67A, VAL71A, VAL89A
• B-C: ALA142B, ALA292B, ALA300B, ALA300C, ALA344B, ALA344C, ALA347B, ALA347C, ALA75C, ALA90C, ARG137B, ARG143B, ARG148B, ARG197C, ARG206C, ARG261B, ARG280B, ARG281B, ARG298B, ARG312B, ARG312C, ARG321B, ARG85C, ASN140B, ASN187C, ASN195C, ASN204C, ASN211C, ASN213C, ASN284B, ASN289B, ASN290B, ASN296B, ASN305B, ASN305C, ASN334C, ASN341B, ASN341C, ASN54B, ASN78C, ASP141B, ASP145B, ASP184C, ASP263B, ASP283B, ASP286B, ASP288B, ASP307B, ASP307C, ASP323B, ASP61C, ASP88C, ASP91C, ASP99B, ASP99C, CYS168B, CYS220C, GLN114B, GLN116B, GLN259B, GLN97B, GLN97C, GLU121B, GLU171B, GLU310B, GLU84C, GLU98B, GLU98C, GLY100B, GLY100C, GLY138B, GLY144B, GLY146B, GLY254B, GLY257B, GLY294B, GLY328B, GLY343B, GLY343C, GLY345B, GLY345C, GLY350B, GLY56B, GLY73C, GLY83C, HIS219C, ILE192C, ILE196C, ILE208C, ILE212C, ILE232C, ILE260B, ILE315B, ILE315C, ILE335C, ILE336C, ILE342B, ILE342C, ILE74C, ILE86C, ILE93C, ILE94C, LEU165B, LEU170B, LEU191C, LEU209C, LEU217C, LEU282B, LEU314B, LEU339C, LEU340B, LEU340C, LEU346B, LEU346C, LEU348B, LEU348C, LEU349B, LEU349C, LEU351B, LEU64C, LEU76C, LEU82C, LYS118B, LYS193C, LYS200C, LYS285B, LYS301B, LYS301C, LYS304B, LYS304C, LYS316B, LYS70C, LYS72C, MET256B, MET325B, PHE102B, PHE103B, PHE139B, PHE188C, PHE297B, PHE299B, PHE322B, PHE327B, PRO199C, PRO210C, PRO231C, PRO287B, PRO293B, PRO337C, PRO95B, PRO95C, PRO96B, PRO96C, SER101B, SER101C, SER117B, SER166B, SER214C, SER215C, SER306B, SER306C, SER65C, SER66C, THR149B, THR218C, THR278B, THR311B, THR311C, THR313B, THR313C, THR338C, THR62B, THR62C, THR68C, THR69C, THR77C, TRP167B, TRP87C, TYR216C, TYR295B, TYR302B, TYR302C, TYR303B, TYR303C, TYR45B, TYR49B, TYR53B, TYR92C, VAL147B, VAL164B, VAL255B, VAL258B, VAL291B, VAL324B, VAL326B, VAL352B, VAL354B, VAL42B, VAL46B, VAL50B, VAL63C, VAL67C, VAL71C, VAL89C