3HVQ

crystal structure of a complex between protein phosphatase 1 alpha (pp1) and the pp1 binding and pdz domains of neurabin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 172
  • Norm. En. per Res.: -5.3004
• 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	-13.0319	-0.8038	-80.8489	-94.6847	51	2	0	3724	0	22	31
A-C	-190.4504	-131.0818	-584.433	-905.9652	181	33	16	22240	11	89	62
B-C	-14.751	-33.4401	-76.8342	-125.0253	51	2	0	3538	5	23	22
B-D	-171.7899	-118.603	-621.277	-911.6699	172	33	15	22596	7	80	60
C-D	0.0	0.0	-0.0195	-0.0195	3	0	0	13	0	4	4

Interface residues

• A-B: ARG142A, ARG142B, ARG143A, ARG143B, ARG15A, ARG15B, ARG36A, ARG36B, ASN145A, ASN145B, ASN27A, ASN27B, ASN33A, ASN33B, ASN8A, ASP138B, CYS140A, CYS140B, GLN29A, GLN29B, GLU139A, GLU139B, GLU18A, GLU18B, GLU32A, GLU32B, GLU34A, GLU34B, ILE146A, ILE146B, ILE35B, LEU101A, LEU101B, LEU148A, LEU148B, LEU30A, LEU30B, LYS141A, LYS141B, LYS147A, LYS147B, LYS26A, LYS26B, THR31A, THR31B, TYR144A, TYR144B, VAL19A, VAL19B, VAL28A, VAL28B
• A-C: ALA128A, ALA269A, ALA279A, ALA281A, ALA299A, ALA463C, ALA487C, ALA488C, ALA490C, ALA57A, ARG132A, ARG142A, ARG23A, ARG261A, ARG456C, ARG478C, ARG479C, ARG74A, ARG96A, ASN131A, ASN145A, ASN271A, ASN278A, ASN455C, ASN469C, ASN473C, ASN480C, ASP138A, ASP166A, ASP194A, ASP240A, ASP242A, ASP253A, ASP277A, ASP286A, ASP300A, ASP437C, ASP475C, ASP477C, ASP481C, ASP482C, ASP484C, ASP71A, ASP95A, CYS127A, CYS273A, CYS291A, CYS462C, GLN20A, GLN262A, GLN294A, GLN448C, GLN68A, GLN99A, GLU139A, GLU167A, GLU256A, GLU275A, GLU287A, GLU439C, GLU442C, GLU449C, GLU450C, GLU451C, GLU474C, GLU491C, GLU493C, GLU495C, GLU499C, GLU560C, GLU77A, GLY135A, GLY21A, GLY25A, GLY274A, GLY280A, GLY445C, GLY563C, GLY568C, GLY67A, GLY79A, GLY80A, GLY97A, HIS125A, HIS66A, ILE130A, ILE133A, ILE146A, ILE169A, ILE244A, ILE295A, ILE443C, ILE452C, ILE458C, ILE465C, ILE564C, ILE65A, LEU236A, LEU241A, LEU243A, LEU263A, LEU289A, LEU296A, LEU446C, LEU494C, LEU503C, LEU72A, LEU73A, LEU75A, LYS141A, LYS147A, LYS150A, LYS168A, LYS260A, LYS26A, LYS297A, LYS457C, LYS459C, LYS466C, LYS496C, LYS532C, LYS98A, MET282A, MET283A, MET290A, MET438C, PHE136A, PHE170A, PHE257A, PHE276A, PHE293A, PHE460C, PHE468C, PHE76A, PHE81A, PRO24A, PRO270A, PRO298A, PRO436C, PRO447C, PRO453C, PRO464C, PRO485C, SER100A, SER129A, SER22A, SER268A, SER284A, SER292A, SER441C, SER461C, SER472C, SER489C, SER565C, THR103A, THR153A, THR288A, THR470C, TRP149A, TYR134A, TYR137A, TYR255A, TYR272A, TYR440C, TYR471C, TYR476C, TYR492C, TYR69A, TYR70A, TYR78A, VAL165A, VAL19A, VAL264A, VAL285A, VAL444C, VAL467C, VAL483C, VAL486C, VAL498C, VAL567C, VAL569C
• B-C: ARG191B, ARG36B, ARG43B, ARG579C, ARG586C, ASN157B, ASN33B, ASN580C, ASN584C, ASP154B, ASP511C, ASP562C, CYS155B, CYS158B, GLU32B, GLU44B, GLU507C, GLU509C, GLU512C, GLU560C, GLY37B, GLY563C, GLY583C, ILE146B, ILE564C, LEU148B, LEU40B, LEU47B, LEU578C, LYS147B, LYS150B, LYS41B, LYS510C, LYS582C, MET190B, PHE152B, PHE573C, PHE587C, PRO192B, PRO505C, SER565C, THR151B, THR153B, THR193B, THR576C, THR581C, TRP149B, VAL561C, VAL577C, VAL585C, VAL588C
• B-D: ALA128B, ALA269B, ALA279B, ALA281B, ALA299B, ALA463D, ALA487D, ALA488D, ALA490D, ALA57B, ARG132B, ARG142B, ARG23B, ARG261B, ARG456D, ARG478D, ARG479D, ARG74B, ARG96B, ASN131B, ASN271B, ASN278B, ASN455D, ASN469D, ASN473D, ASN480D, ASP138B, ASP166B, ASP194B, ASP240B, ASP242B, ASP253B, ASP277B, ASP286B, ASP300B, ASP437D, ASP475D, ASP477D, ASP481D, ASP482D, ASP484D, ASP71B, ASP95B, CYS127B, CYS245B, CYS273B, CYS291B, CYS462D, GLN20B, GLN262B, GLN294B, GLN435D, GLN448D, GLN68B, GLN99B, GLU139B, GLU167B, GLU256B, GLU275B, GLU287B, GLU439D, GLU449D, GLU450D, GLU451D, GLU474D, GLU491D, GLU493D, GLU495D, GLU499D, GLU77B, GLY135B, GLY21B, GLY25B, GLY274B, GLY280B, GLY445D, GLY67B, GLY79B, GLY80B, GLY97B, HIS125B, HIS237B, HIS66B, ILE130B, ILE133B, ILE146B, ILE169B, ILE244B, ILE295B, ILE443D, ILE452D, ILE458D, ILE465D, ILE65B, LEU236B, LEU241B, LEU243B, LEU263B, LEU266B, LEU289B, LEU296B, LEU446D, LEU494D, LEU72B, LEU73B, LEU75B, LYS141B, LYS150B, LYS168B, LYS260B, LYS26B, LYS297B, LYS457D, LYS459D, LYS466D, LYS496D, LYS98B, MET282B, MET283B, MET290B, MET438D, PHE136B, PHE170B, PHE257B, PHE276B, PHE293B, PHE460D, PHE468D, PHE76B, PHE81B, PRO24B, PRO270B, PRO298B, PRO436D, PRO447D, PRO453D, PRO464D, PRO485D, SER100B, SER129B, SER22B, SER268B, SER284B, SER292B, SER441D, SER461D, SER472D, SER489D, THR103B, THR153B, THR288B, THR470D, TRP149B, TYR134B, TYR137B, TYR255B, TYR272B, TYR440D, TYR471D, TYR476D, TYR492D, TYR69B, TYR70B, TYR78B, VAL165B, VAL19B, VAL264B, VAL285B, VAL444D, VAL467D, VAL483D, VAL486D
• C-D: ASN584C, GLU499D, GLU507C