3MK6

substrate and inhibitor binding to pank

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 204
  • Norm. En. per Res.: -3.1963
• 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	-25.065	-28.0159	-181.374	-234.4549	106	13	1	6976	10	45	46
A-C	-43.019	-75.0785	-518.687	-636.7845	204	17	8	21426	4	27	27
B-D	-54.4371	-87.1865	-510.43	-652.0537	204	18	8	21488	4	26	26

Interface residues

• A-B: ALA158A, ALA158B, ALA164A, ALA164B, ALA35A, ALA35B, ARG171A, ARG171B, ARG64A, ARG64B, ARG78A, ARG79A, ARG79B, ASN155A, ASN165A, ASN165B, ASN81A, ASN81B, ASP32A, ASP32B, ASP65A, ASP72A, ASP72B, CYS172A, CYS172B, GLN157A, GLN157B, GLN173A, GLN173B, GLN39A, GLN39B, GLU168A, GLU168B, GLU170A, GLU170B, GLU29A, GLU29B, GLU352A, GLU352B, GLU36A, GLU36B, GLU37A, GLU37B, GLU38A, GLU38B, GLU40A, GLU40B, GLU41A, GLU41B, GLU43A, GLU43B, GLU69A, GLU69B, GLY156A, GLY80A, GLY80B, HIS353B, HIS67A, HIS67B, HIS83A, HIS83B, ILE31A, ILE31B, ILE33A, ILE33B, ILE63A, ILE63B, LEU68A, LEU68B, LEU70A, LEU70B, LEU73A, LEU73B, LYS174A, LYS174B, LYS332A, LYS332B, LYS46A, LYS46B, LYS50B, LYS71A, LYS71B, MET175A, MET175B, PHE154A, PHE154B, PHE163A, PHE163B, PRO169A, PRO176A, PRO176B, PRO30A, PRO30B, SER153A, SER153B, THR328A, THR328B, THR61B, TYR161A, TYR161B, TYR162A, TYR162B, VAL42A, VAL42B, VAL66A, VAL66B
• A-C: ALA198A, ALA246A, ALA246C, ALA267A, ALA267C, ALA269A, ALA269C, ALA292A, ALA292C, ALA305A, ALA305C, ALA309C, ARG207A, ARG207C, ARG260A, ARG260C, ARG281A, ARG281C, ARG306A, ARG306C, ASN189A, ASN189C, ASN204A, ASN204C, ASN274A, ASN274C, ASN299A, ASN299C, ASN300A, ASN300C, ASN311A, ASN311C, ASP137A, ASP137C, ASP140A, ASP140C, ASP203A, ASP203C, ASP247A, ASP247C, CYS141A, CYS141C, CYS222A, CYS222C, CYS228A, CYS228C, CYS308A, CYS308C, GLU138A, GLU138C, GLU229A, GLU229C, GLU259C, GLU282A, GLU282C, GLU312A, GLU312C, GLY116A, GLY116C, GLY191A, GLY191C, GLY193A, GLY193C, GLY210A, GLY210C, GLY214A, GLY214C, GLY215A, GLY215C, GLY216A, GLY216C, GLY220A, GLY220C, GLY227A, GLY227C, GLY262A, GLY262C, GLY273A, GLY273C, ILE196A, ILE196C, ILE253A, ILE253C, ILE276A, ILE276C, ILE297A, ILE297C, ILE301A, ILE301C, LEU136C, LEU139A, LEU139C, LEU142A, LEU142C, LEU197A, LEU197C, LEU213A, LEU213C, LEU219A, LEU219C, LEU221A, LEU221C, LEU224A, LEU224C, LEU225A, LEU225C, LEU249A, LEU249C, LEU263A, LEU263C, LEU289A, LEU289C, LYS135A, LYS135C, LYS206A, LYS206C, LYS248A, LYS248C, LYS278A, LYS278C, LYS280A, LYS280C, LYS286C, LYS313A, LYS313C, LYS343A, LYS343C, MET275A, MET275C, MET307A, MET307C, PHE218A, PHE218C, PHE231A, PHE231C, PHE261A, PHE261C, PHE272A, PHE272C, PRO264A, PRO264C, SER192A, SER192C, SER195A, SER195C, SER212A, SER212C, SER223A, SER223C, SER230A, SER230C, SER270A, SER270C, SER271A, SER271C, SER303A, SER303C, THR114C, THR209A, THR209C, THR211A, THR211C, THR217A, THR217C, THR226A, THR226C, THR293A, THR293C, THR296A, THR296C, THR298A, THR298C, TRP341A, TRP341C, TYR119A, TYR119C, TYR205A, TYR205C, TYR254A, TYR254C, TYR258A, TYR258C, TYR277A, TYR277C, TYR340A, TYR340C, VAL143A, VAL143C, VAL194A, VAL194C, VAL208A, VAL208C, VAL250A, VAL250C, VAL268A, VAL268C, VAL284A, VAL284C, VAL295A, VAL295C, VAL304A, VAL304C, VAL310A, VAL310C
• B-D: ALA198B, ALA198D, ALA246B, ALA246D, ALA267B, ALA267D, ALA269B, ALA269D, ALA292B, ALA292D, ALA305B, ALA305D, ALA309B, ALA309D, ARG207B, ARG207D, ARG260B, ARG260D, ARG281B, ARG281D, ARG306B, ARG306D, ASN189B, ASN189D, ASN204B, ASN274B, ASN274D, ASN299B, ASN299D, ASN300B, ASN300D, ASN311B, ASN311D, ASP137B, ASP137D, ASP140B, ASP140D, ASP203B, ASP247B, ASP247D, CYS141B, CYS141D, CYS222B, CYS222D, CYS228B, CYS228D, CYS308B, CYS308D, GLU138B, GLU138D, GLU229B, GLU229D, GLU259D, GLU282B, GLU282D, GLU312B, GLU312D, GLY116B, GLY116D, GLY191B, GLY191D, GLY193B, GLY193D, GLY210B, GLY210D, GLY214B, GLY214D, GLY215B, GLY215D, GLY216B, GLY216D, GLY220B, GLY220D, GLY227B, GLY227D, GLY262B, GLY262D, GLY273B, GLY273D, ILE196B, ILE196D, ILE253B, ILE253D, ILE276B, ILE276D, ILE297B, ILE297D, ILE301B, ILE301D, LEU136B, LEU139B, LEU139D, LEU142B, LEU142D, LEU197B, LEU197D, LEU213B, LEU213D, LEU219B, LEU219D, LEU221B, LEU221D, LEU224B, LEU224D, LEU225B, LEU225D, LEU249B, LEU249D, LEU263B, LEU263D, LEU289B, LEU289D, LYS135B, LYS135D, LYS144B, LYS206B, LYS206D, LYS248B, LYS248D, LYS278B, LYS278D, LYS280B, LYS280D, LYS313B, LYS313D, LYS343B, LYS343D, MET275B, MET275D, MET307B, MET307D, PHE218B, PHE218D, PHE231B, PHE231D, PHE261B, PHE261D, PHE272B, PHE272D, PRO264B, PRO264D, SER192B, SER192D, SER195B, SER195D, SER212B, SER212D, SER223B, SER223D, SER230B, SER230D, SER270B, SER270D, SER271B, SER271D, SER303B, SER303D, THR114B, THR209B, THR209D, THR211B, THR211D, THR217B, THR217D, THR226B, THR226D, THR293B, THR293D, THR296B, THR296D, THR298B, THR298D, TRP341B, TRP341D, TYR119B, TYR119D, TYR205B, TYR205D, TYR254B, TYR254D, TYR258B, TYR258D, TYR277B, TYR277D, TYR340B, TYR340D, VAL143B, VAL143D, VAL194B, VAL194D, VAL208B, VAL208D, VAL250B, VAL250D, VAL268B, VAL268D, VAL284B, VAL284D, VAL295B, VAL295D, VAL304B, VAL304D, VAL310B, VAL310D