2DVX

crystal structure of 2,6-dihydroxybenzoate decarboxylase complexed with inhibitor 2,3-dihydroxybenzaldehyde

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 265
  • Norm. En. per Res.: -5.0768
• Hub Node: A(3)

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	-156.5412	-114.252	-1074.56	-1345.3532	265	37	12	37942	10	71	57
A-C	-20.6965	26.9976	-106.632	-100.331	58	3	11	5154	4	31	27
A-D	0.0	0.0	-43.0052	-43.0052	28	2	0	1960	0	2	1
B-C	0.0	0.0	-41.5359	-41.5359	28	0	0	1914	0	2	1
B-D	-23.6421	22.0856	-105.166	-106.7225	58	4	11	5148	4	32	29
C-D	-156.2991	-113.9479	-1064.54	-1334.7871	263	48	14	36939	10	69	57

Interface residues

• A-B: ALA188A, ALA188B, ALA190A, ALA190B, ALA194A, ALA194B, ALA197A, ALA197B, ALA202A, ALA202B, ALA21A, ALA21B, ALA235A, ALA235B, ALA245A, ALA245B, ALA273A, ALA273B, ALA296A, ALA296B, ARG174A, ARG174B, ARG199A, ARG199B, ARG229A, ARG229B, ARG233A, ARG233B, ARG242A, ARG242B, ARG266A, ARG266B, ARG35A, ARG35B, ASN234A, ASN234B, ASN254A, ASN254B, ASN264A, ASN264B, ASN292A, ASN292B, ASP143A, ASP143B, ASP172A, ASP172B, ASP177A, ASP177B, ASP231A, ASP231B, ASP272A, ASP272B, ASP27A, ASP27B, ASP287A, ASP287B, ASP294A, ASP294B, GLN132A, GLN132B, GLN137A, GLN137B, GLN171A, GLN171B, GLN191A, GLN191B, GLN268A, GLN268B, GLN33A, GLN33B, GLU192A, GLU192B, GLU221A, GLU221B, GLU276A, GLU276B, GLU291A, GLU291B, GLU31A, GLU31B, GLU8A, GLU8B, GLY136A, GLY136B, GLY178A, GLY178B, GLY184A, GLY184B, GLY204A, GLY204B, GLY217A, GLY217B, GLY220A, GLY220B, GLY222A, GLY222B, GLY22A, GLY22B, GLY263A, GLY263B, GLY26A, GLY26B, HIS164A, HIS164B, HIS179A, HIS179B, HIS196A, HIS196B, HIS218A, HIS218B, HIS232A, HIS232B, HIS295A, HIS295B, HIS34A, HIS34B, ILE175A, ILE175B, ILE230A, ILE230B, ILE259A, ILE259B, ILE271A, ILE271B, ILE274A, ILE274B, ILE277A, ILE277B, ILE282A, ILE282B, ILE293A, ILE293B, LEU144A, LEU144B, LEU169A, LEU169B, LEU182A, LEU182B, LEU183A, LEU183B, LEU198A, LEU198B, LEU200A, LEU200B, LEU205A, LEU205B, LEU223A, LEU223B, LEU239A, LEU239B, LEU270A, LEU270B, LEU275A, LEU275B, LEU32A, LEU32B, LEU36A, LEU36B, LYS238A, LYS238B, LYS30A, LYS30B, MET201A, MET201B, MET219A, MET219B, MET226A, MET226B, MET227A, MET227B, MET250A, MET250B, PHE130A, PHE130B, PHE189A, PHE189B, PHE23A, PHE23B, PHE249A, PHE249B, PHE253A, PHE253B, PHE265A, PHE265B, PHE290A, PHE290B, PRO139A, PRO139B, PRO145A, PRO145B, PRO165A, PRO165B, PRO168A, PRO168B, PRO170A, PRO170B, PRO180A, PRO180B, PRO185A, PRO185B, PRO224A, PRO224B, PRO240A, PRO240B, PRO241A, PRO241B, PRO244A, PRO244B, PRO25A, PRO25B, PRO289A, PRO289B, SER173A, SER173B, SER203A, SER203B, SER262A, SER262B, THR138A, THR138B, THR186A, THR186B, THR193A, THR193B, THR260A, THR261A, THR261B, THR267A, THR267B, THR269A, THR269B, THR286A, THR286B, TRP181A, TRP181B, TRP187A, TRP187B, TRP228A, TRP228B, TRP236A, TRP236B, TRP288A, TRP288B, TRP299A, TRP299B, TRP29A, TRP29B, TYR141A, TYR141B, TYR142A, TYR142B, TYR176A, TYR176B, TYR225A, TYR225B, TYR243A, TYR243B, TYR28A, TYR28B, VAL195A, VAL195B, VAL237A, VAL237B, VAL24A, VAL24B
• A-C: ALA273A, ALA273C, ALA279A, ALA279C, ALA306A, ALA306C, ALA308A, ALA308C, ARG248A, ARG248C, ARG281A, ARG281C, ARG310A, ARG310C, ASN254A, ASN254C, ASP251A, ASP251C, ASP272A, ASP272C, ASP280A, ASP280C, ASP309A, ASP309C, GLN268A, GLN268C, GLU255A, GLU255C, GLU276A, GLU276C, GLU307A, GLU307C, GLY278A, GLY278C, ILE271A, ILE271C, ILE274A, ILE274C, ILE277A, ILE277C, ILE282A, ILE282C, ILE305A, ILE305C, LEU270A, LEU270C, LEU275A, LEU275C, LYS312A, LYS312C, MET250A, MET250C, SER304A, SER304C, THR267A, THR267C, THR303A, THR303C
• A-D: ALA302A, ALA302D, ALA306A, ALA306D, ARG266A, ARG266D, ARG310A, ARG310D, GLN268A, GLN268D, GLU307A, GLU307D, ILE271A, ILE271D, ILE305A, ILE305D, LEU275A, LEU275D, SER304A, SER304D, THR267A, THR267D, THR269A, THR269D, THR303A, THR303D, TRP299A, TRP299D
• B-C: ALA302B, ALA302C, ALA306B, ALA306C, ARG266B, ARG266C, ARG310B, ARG310C, GLN268B, GLN268C, GLU307B, GLU307C, ILE271B, ILE271C, ILE305B, ILE305C, LEU275B, LEU275C, SER304B, SER304C, THR267B, THR267C, THR269B, THR269C, THR303B, THR303C, TRP299B, TRP299C
• B-D: ALA273B, ALA273D, ALA279B, ALA279D, ALA306B, ALA306D, ALA308B, ALA308D, ARG248B, ARG248D, ARG281B, ARG281D, ARG310B, ARG310D, ASN254B, ASN254D, ASP251B, ASP251D, ASP272B, ASP272D, ASP280B, ASP280D, ASP309B, ASP309D, GLN268B, GLN268D, GLU255B, GLU255D, GLU276B, GLU276D, GLU307B, GLU307D, GLY278B, GLY278D, ILE271B, ILE271D, ILE274B, ILE274D, ILE277B, ILE277D, ILE282B, ILE282D, ILE305B, ILE305D, LEU270B, LEU270D, LEU275B, LEU275D, LYS312B, LYS312D, MET250B, MET250D, SER304B, SER304D, THR267B, THR267D, THR303B, THR303D
• C-D: ALA188C, ALA188D, ALA190C, ALA190D, ALA194C, ALA194D, ALA197C, ALA197D, ALA202C, ALA202D, ALA235C, ALA235D, ALA245C, ALA245D, ALA273C, ALA273D, ALA296C, ALA296D, ARG174C, ARG174D, ARG199C, ARG199D, ARG229C, ARG229D, ARG233C, ARG233D, ARG242C, ARG242D, ARG266C, ARG266D, ARG35C, ARG35D, ASN234C, ASN234D, ASN254C, ASN254D, ASN264C, ASN264D, ASN292C, ASN292D, ASP143C, ASP143D, ASP172C, ASP172D, ASP177C, ASP177D, ASP231C, ASP231D, ASP272C, ASP272D, ASP27C, ASP27D, ASP287C, ASP287D, ASP294C, ASP294D, GLN132C, GLN132D, GLN137C, GLN137D, GLN171C, GLN171D, GLN191C, GLN191D, GLN268C, GLN268D, GLN33C, GLN33D, GLU192C, GLU192D, GLU221C, GLU221D, GLU276C, GLU276D, GLU291C, GLU291D, GLU31C, GLU31D, GLU8C, GLU8D, GLY136C, GLY136D, GLY178C, GLY178D, GLY184C, GLY184D, GLY204C, GLY204D, GLY217C, GLY217D, GLY220C, GLY220D, GLY222C, GLY222D, GLY263C, GLY263D, GLY26C, GLY26D, HIS164C, HIS164D, HIS179C, HIS179D, HIS196C, HIS196D, HIS218C, HIS218D, HIS232C, HIS232D, HIS295C, HIS295D, HIS34C, HIS34D, ILE175C, ILE175D, ILE230C, ILE230D, ILE259C, ILE259D, ILE271C, ILE271D, ILE274C, ILE274D, ILE277C, ILE277D, ILE282C, ILE282D, ILE293C, ILE293D, LEU140C, LEU140D, LEU144C, LEU144D, LEU169C, LEU169D, LEU182C, LEU182D, LEU183C, LEU183D, LEU198C, LEU198D, LEU200C, LEU200D, LEU205C, LEU205D, LEU223C, LEU223D, LEU239C, LEU239D, LEU270C, LEU270D, LEU275C, LEU275D, LEU32C, LEU32D, LEU36C, LEU36D, LYS238C, LYS238D, LYS30C, LYS30D, MET201C, MET201D, MET219C, MET219D, MET226C, MET226D, MET227C, MET227D, MET250C, MET250D, PHE130C, PHE130D, PHE189C, PHE189D, PHE249C, PHE249D, PHE253C, PHE253D, PHE265C, PHE265D, PHE290C, PHE290D, PRO139C, PRO139D, PRO145C, PRO145D, PRO165C, PRO165D, PRO168C, PRO168D, PRO170C, PRO170D, PRO180C, PRO180D, PRO185C, PRO185D, PRO224C, PRO224D, PRO240C, PRO240D, PRO241C, PRO241D, PRO244C, PRO244D, PRO25C, PRO25D, PRO289C, PRO289D, SER173C, SER173D, SER203C, SER203D, SER262C, SER262D, SER304C, SER304D, THR138C, THR138D, THR186C, THR186D, THR193C, THR193D, THR260D, THR261C, THR261D, THR267C, THR267D, THR269C, THR269D, THR286C, THR286D, TRP181C, TRP181D, TRP187C, TRP187D, TRP228C, TRP228D, TRP236C, TRP236D, TRP288C, TRP288D, TRP299C, TRP299D, TRP29C, TRP29D, TYR141C, TYR141D, TYR142C, TYR142D, TYR176C, TYR176D, TYR225C, TYR225D, TYR243C, TYR243D, TYR28C, TYR28D, VAL195C, VAL195D, VAL237C, VAL237D, VAL24C, VAL24D