2VHH

crystal structure of a pyrimidine degrading enzyme from drosophila melanogaster

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 302
  • Norm. En. per Res.: -4.3006
• 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	-181.4531	-131.7291	-985.604	-1298.7862	302	64	28	40887	8	82	108
A-C	-26.5637	-44.37	-146.939	-217.8727	76	5	0	6099	5	40	32
B-C	-77.5382	14.065	-299.56	-363.0332	126	15	1	11235	3	60	46
B-D	-44.1114	-52.4021	-146.184	-242.6975	74	7	0	6147	6	40	30
C-D	-163.5883	-86.5033	-1028.59	-1278.6816	309	54	29	42134	6	85	114

Interface residues

• A-B: ALA251A, ALA251B, ALA273A, ALA273B, ALA276A, ALA276B, ALA277A, ALA277B, ALA279A, ALA279B, ALA321A, ALA321B, ALA322A, ALA322B, ALA367A, ALA367B, ALA373A, ALA373B, ARG190A, ARG190B, ARG196A, ARG196B, ARG202A, ARG202B, ARG237A, ARG237B, ARG263A, ARG263B, ARG274A, ARG274B, ARG27A, ARG27B, ARG327A, ARG327B, ARG333A, ARG333B, ARG358A, ARG358B, ARG362A, ARG362B, ARG63A, ARG63B, ASN10A, ASN10B, ASN187A, ASN187B, ASN198A, ASN198B, ASN216A, ASN216B, ASN232A, ASN232B, ASN242A, ASN242B, ASN249A, ASN249B, ASN275A, ASN275B, ASN280A, ASN280B, ASN8A, ASN8B, ASP205B, ASP20B, ASP303B, ASP324A, ASP324B, ASP353A, ASP353B, CYS12A, CYS12B, GLN241A, GLN241B, GLN361A, GLN361B, GLN381A, GLN381B, GLU14A, GLU14B, GLU214A, GLU214B, GLU21A, GLU21B, GLU223A, GLU223B, GLU225A, GLU225B, GLU24A, GLU24B, GLU266A, GLU266B, GLU272A, GLU272B, GLU33A, GLU33B, GLU368A, GLU368B, GLU375A, GLU375B, GLU385A, GLU385B, GLY189A, GLY189B, GLY193A, GLY193B, GLY204B, GLY215A, GLY215B, GLY218A, GLY218B, GLY236A, GLY236B, GLY247A, GLY247B, GLY250A, GLY250B, GLY262A, GLY262B, GLY302B, GLY304B, GLY31A, GLY31B, GLY325A, GLY325B, GLY356A, GLY356B, HIS16A, HIS16B, HIS195A, HIS195B, HIS199A, HIS199B, HIS219A, HIS219B, HIS238A, HIS238B, HIS239A, HIS239B, HIS376A, ILE185B, ILE200A, ILE200B, ILE261A, ILE271A, ILE271B, ILE278A, ILE278B, ILE28A, ILE28B, ILE382A, ILE382B, ILE383A, ILE383B, LEU13A, LEU13B, LEU17A, LEU17B, LEU192A, LEU192B, LEU229A, LEU229B, LEU22A, LEU22B, LEU248A, LEU248B, LEU264A, LEU264B, LEU268A, LEU268B, LEU29A, LEU29B, LEU347A, LEU347B, LEU365A, LEU365B, LEU6A, LEU9A, LEU9B, LYS15A, LYS15B, LYS194A, LYS194B, LYS197A, LYS197B, LYS228A, LYS228B, LYS23B, LYS26A, LYS26B, LYS352A, LYS352B, LYS371A, LYS371B, LYS372A, LYS372B, LYS379A, LYS379B, LYS384A, LYS384B, LYS7A, MET213A, MET213B, MET244A, MET244B, MET245A, MET245B, MET359A, MET359B, PHE206B, PHE222A, PHE222B, PHE246A, PHE246B, PHE354A, PHE354B, PHE357A, PHE357B, PHE370A, PHE370B, PHE378A, PHE378B, PRO18A, PRO18B, PRO201A, PRO201B, PRO220A, PRO220B, PRO240A, PRO240B, PRO267A, PRO267B, PRO313A, PRO313B, PRO323A, PRO323B, PRO364A, PRO364B, PRO380A, PRO380B, SER186A, SER186B, SER188A, SER188B, SER209B, SER265A, SER265B, SER270A, SER270B, SER301B, SER317A, SER317B, SER326A, SER326B, SER330A, SER330B, SER369A, SER369B, SER374A, SER374B, THR217A, THR217B, THR224A, THR224B, THR360A, THR360B, THR386A, THR386B, TRP179A, TRP179B, TRP243A, TRP243B, TRP269A, TRP269B, TRP355A, TRP355B, TYR191A, TYR191B, TYR235A, TYR235B, TYR30A, TYR30B, TYR315A, TYR315B, TYR319A, TYR319B, TYR366A, TYR366B, VAL162A, VAL162B, VAL184A, VAL184B, VAL203B, VAL221A, VAL221B, VAL25A, VAL25B, VAL32A, VAL32B, VAL351A, VAL351B, VAL363A, VAL363B
• A-C: ALA140C, ALA88C, ARG131C, ARG170C, ARG349A, ARG358A, ARG362A, ARG63A, ARG68A, ARG71A, ARG94C, ASN216C, ASN249A, ASN297C, ASN346A, ASP171C, ASP353A, CYS137C, CYS348A, GLN350A, GLN361A, GLN381A, GLN66A, GLN93C, GLU132C, GLU138C, GLU141C, GLU142C, GLU173C, GLU176C, GLU208C, GLU214C, GLU252A, GLU64A, GLU65A, GLU91C, GLY175C, GLY247A, GLY250A, GLY356A, HIS174C, HIS376C, ILE178C, ILE90C, LEU248A, LEU347A, LYS133C, LYS228A, LYS352A, LYS92C, MET172C, MET213C, MET359A, PHE134C, PHE139C, PHE354A, PHE357A, PRO135C, PRO147C, PRO364A, PRO89C, SER209C, SER281A, THR177C, THR210C, THR360A, THR67A, THR86C, THR87C, TRP136C, TRP179C, TRP355A, TYR211C, TYR212C, VAL351A, VAL363A
• B-C: ALA307B, ALA307C, ALA373B, ALA373C, ARG131B, ARG131C, ARG196B, ARG196C, ARG202B, ARG202C, ASN198B, ASN198C, ASN207B, ASN207C, ASN216B, ASN216C, ASN297B, ASN297C, ASN305B, ASN305C, ASP171B, ASP171C, ASP205B, ASP205C, ASP303B, ASP303C, CYS129B, CYS129C, GLU132B, GLU132C, GLU173B, GLU173C, GLU208B, GLU208C, GLU214B, GLU214C, GLU298B, GLU298C, GLU375B, GLU375C, GLY175B, GLY175C, GLY204B, GLY204C, GLY215B, GLY215C, GLY218B, GLY218C, GLY302B, GLY302C, GLY304B, GLY304C, GLY377B, GLY377C, HIS174B, HIS174C, HIS195B, HIS195C, HIS199B, HIS199C, HIS308B, HIS308C, HIS376B, HIS376C, ILE200B, ILE200C, ILE382B, ILE382C, LYS133B, LYS133C, LYS194B, LYS194C, LYS306B, LYS306C, LYS309B, LYS309C, LYS371B, LYS371C, LYS372B, LYS372C, LYS379B, LYS379C, MET172B, MET172C, MET213B, MET213C, PHE128B, PHE128C, PHE134B, PHE134C, PHE206B, PHE206C, PHE378B, PHE378C, PRO201B, PRO201C, PRO220B, PRO220C, PRO296B, PRO296C, PRO380B, PRO380C, SER209B, SER209C, SER301B, SER301C, SER374B, SER374C, THR130B, THR130C, THR210B, THR210C, THR217B, THR217C, THR300B, THR300C, TRP136B, TRP136C, TYR211B, TYR211C, TYR212B, TYR212C, TYR299B, TYR299C, VAL203B, VAL203C
• B-D: ALA140B, ALA251D, ALA88B, ARG131B, ARG170B, ARG349D, ARG358D, ARG362D, ARG63D, ARG68D, ARG71D, ARG94B, ASN216B, ASN249D, ASN346D, ASP353D, CYS137B, CYS348D, GLN350D, GLN361D, GLN381D, GLN66D, GLN93B, GLU132B, GLU138B, GLU141B, GLU142B, GLU173B, GLU176B, GLU208B, GLU214B, GLU252D, GLU64D, GLU65D, GLU91B, GLY175B, GLY247D, GLY250D, GLY356D, HIS174B, HIS376B, ILE178B, ILE90B, LEU248D, LEU347D, LYS133B, LYS228D, LYS352D, LYS92B, MET172B, MET213B, MET359D, PHE134B, PHE139B, PHE354D, PHE357D, PRO135B, PRO147B, PRO364D, PRO89B, SER209B, THR177B, THR210B, THR360D, THR67D, THR86B, THR87B, TRP136B, TRP179B, TRP355D, TYR211B, TYR212B, VAL351D, VAL363D
• C-D: ALA251C, ALA251D, ALA273C, ALA273D, ALA276C, ALA276D, ALA277C, ALA277D, ALA279C, ALA279D, ALA321C, ALA321D, ALA322C, ALA322D, ALA367C, ALA367D, ALA373C, ALA373D, ARG190C, ARG190D, ARG196C, ARG196D, ARG202C, ARG202D, ARG237C, ARG237D, ARG263C, ARG263D, ARG274C, ARG274D, ARG27C, ARG27D, ARG327C, ARG327D, ARG333C, ARG333D, ARG358C, ARG358D, ARG362C, ARG362D, ARG63C, ARG63D, ASN10C, ASN10D, ASN187C, ASN187D, ASN198C, ASN198D, ASN216C, ASN216D, ASN232C, ASN232D, ASN242C, ASN242D, ASN249C, ASN249D, ASN275C, ASN275D, ASN280C, ASN280D, ASN8C, ASN8D, ASP205C, ASP205D, ASP20C, ASP20D, ASP303C, ASP303D, ASP324C, ASP324D, ASP353C, ASP353D, CYS12C, CYS12D, GLN241C, GLN241D, GLN361C, GLN361D, GLN381C, GLN381D, GLU14C, GLU14D, GLU214C, GLU214D, GLU21C, GLU21D, GLU223C, GLU223D, GLU225C, GLU225D, GLU24C, GLU24D, GLU266C, GLU266D, GLU272C, GLU272D, GLU33C, GLU33D, GLU368C, GLU368D, GLU375C, GLU375D, GLU385C, GLU385D, GLU5C, GLY189C, GLY189D, GLY193C, GLY193D, GLY204C, GLY204D, GLY215C, GLY215D, GLY218C, GLY218D, GLY236C, GLY236D, GLY247C, GLY247D, GLY250C, GLY250D, GLY262C, GLY262D, GLY302C, GLY302D, GLY304C, GLY304D, GLY31C, GLY31D, GLY325C, GLY325D, GLY356C, GLY356D, HIS16C, HIS16D, HIS195C, HIS195D, HIS199C, HIS199D, HIS219C, HIS219D, HIS238C, HIS238D, HIS239C, HIS239D, ILE185D, ILE200C, ILE200D, ILE271C, ILE271D, ILE278C, ILE278D, ILE28C, ILE28D, ILE382C, ILE382D, ILE383C, ILE383D, LEU13C, LEU13D, LEU17C, LEU17D, LEU192C, LEU192D, LEU229C, LEU229D, LEU22C, LEU22D, LEU248C, LEU248D, LEU264C, LEU264D, LEU268C, LEU268D, LEU29C, LEU29D, LEU365C, LEU365D, LEU6C, LEU9C, LEU9D, LYS15C, LYS15D, LYS194C, LYS194D, LYS197C, LYS197D, LYS228C, LYS228D, LYS23D, LYS26C, LYS26D, LYS352C, LYS352D, LYS371C, LYS371D, LYS372C, LYS372D, LYS379C, LYS379D, LYS384C, LYS384D, LYS7C, MET213C, MET213D, MET244C, MET244D, MET245C, MET245D, MET359C, MET359D, PHE206C, PHE222C, PHE222D, PHE246C, PHE246D, PHE354C, PHE354D, PHE357C, PHE357D, PHE370C, PHE370D, PHE378C, PHE378D, PRO18C, PRO18D, PRO201C, PRO201D, PRO220C, PRO220D, PRO240C, PRO240D, PRO267C, PRO267D, PRO313C, PRO313D, PRO323C, PRO323D, PRO364C, PRO364D, PRO380C, PRO380D, SER186C, SER186D, SER188C, SER188D, SER209C, SER209D, SER265C, SER265D, SER270C, SER270D, SER301C, SER301D, SER317C, SER317D, SER326C, SER326D, SER330C, SER330D, SER369C, SER369D, SER374C, SER374D, THR217C, THR217D, THR224C, THR224D, THR360C, THR360D, THR386C, THR386D, TRP179C, TRP179D, TRP243C, TRP243D, TRP269C, TRP269D, TRP355C, TRP355D, TYR191C, TYR191D, TYR235C, TYR235D, TYR282D, TYR30C, TYR30D, TYR315C, TYR315D, TYR319C, TYR319D, TYR366C, TYR366D, VAL162C, VAL162D, VAL184C, VAL184D, VAL203C, VAL203D, VAL221C, VAL221D, VAL25C, VAL25D, VAL32C, VAL32D, VAL351C, VAL351D, VAL363C, VAL363D