Summary Geometry PCM/PTM Related PDB entries

8ZR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	doub	1.38Å	1.35Å	Aromatic
C10	C9	sing	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.35Å	Aromatic
C12	C13	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.50Å	1.54Å
C13	N15	sing	1.34Å	1.37Å	Aromatic
C2	N1	sing	1.49Å	1.47Å
C3	N1	sing	1.50Å	1.47Å
C4	N1	sing	1.35Å	1.47Å
C4	N6	sing	1.37Å	1.26Å
C4	S5	doub	1.69Å	1.65Å
C8	C9	sing	1.46Å	1.40Å
C8	N7	doub	1.28Å	1.34Å
C9	N15	doub	1.35Å	1.36Å	Aromatic
N15	CU1	sing	2.00Å	1.97Å
N6	N7	sing	1.38Å	1.39Å
N7	CU1	sing	1.91Å	2.07Å
S5	CU1	sing	2.24Å	1.99Å
C10	H10	sing	0.93Å	1.08Å
C11	H11	sing	0.95Å	1.08Å
C12	H12	sing	0.93Å	1.08Å
C14	H13	sing	0.97Å	1.10Å
C14	H14	sing	0.97Å	1.10Å
C14	H15	sing	0.97Å	1.10Å
C2	H22	sing	0.97Å	1.10Å
C2	H23	sing	0.97Å	1.10Å
C2	H21	sing	0.97Å	1.10Å
C3	H32	sing	0.97Å	1.10Å
C3	H31	sing	0.97Å	1.10Å
C3	H30	sing	0.97Å	1.10Å
C8	H2	sing	0.95Å	1.08Å
N6	H3	sing	0.89Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	120.1°	118.3°
C10	C11	C12	120.1°	119.2°
C11	C10	H10	119.9°	121.0°
C10	C11	H11	120.0°	120.4°
C10	C9	C8	116.4°	124.1°
C10	C9	N15	120.5°	122.6°
C9	C10	H10	119.9°	120.7°
C11	C12	C13	120.1°	119.7°
C12	C11	H11	120.0°	120.4°
C11	C12	H12	119.9°	120.4°
C12	C13	C14	119.5°	121.7°
C12	C13	N15	120.1°	121.3°
C13	C12	H12	119.9°	119.9°
C14	C13	N15	120.4°	117.1°
C13	C14	H13	109.5°	109.7°
C13	C14	H14	109.4°	109.8°
C13	C14	H15	109.5°	109.6°
C13	N15	C9	119.0°	118.9°
C13	N15	CU1	129.5°	128.8°
C2	N1	C3	119.8°	115.9°
C2	N1	C4	120.1°	120.5°
N1	C2	H22	109.5°	111.1°
N1	C2	H23	109.5°	109.3°
N1	C2	H21	109.4°	109.3°
C3	N1	C4	120.0°	123.6°
N1	C3	H32	109.5°	111.1°
N1	C3	H31	109.5°	109.3°
N1	C3	H30	109.5°	109.3°
N1	C4	N6	126.8°	119.3°
N1	C4	S5	126.0°	126.5°
N6	C4	S5	107.2°	114.2°
C4	N6	N7	122.0°	117.8°
C4	N6	H3	119.0°	122.3°
C4	S5	CU1	116.6°	102.9°
C9	C8	N7	109.5°	116.1°
C8	C9	N15	123.0°	113.2°
C9	C8	H2	125.2°	120.9°
C8	N7	N6	126.3°	120.2°
C8	N7	CU1	116.2°	116.4°
N7	C8	H2	125.2°	123.0°
C9	N15	CU1	111.5°	112.4°
N15	CU1	N7	79.7°	81.9°
N15	CU1	S5	156.5°	163.5°
N6	N7	CU1	117.5°	123.4°
N7	N6	H3	119.0°	119.9°
N7	CU1	S5	76.8°	81.6°
H13	C14	H14	109.5°	109.1°
H13	C14	H15	109.5°	109.4°
H14	C14	H15	109.5°	109.4°
H22	C2	H23	109.4°	109.0°
H22	C2	H21	109.5°	108.9°
H23	C2	H21	109.5°	109.2°
H32	C3	H31	109.5°	109.0°
H32	C3	H30	109.4°	109.0°
H31	C3	H30	109.4°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H10	180.0°	179.9°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.0°	0.1°
C11	C10	C9	C8	179.9°	180.0°
C11	C10	C9	N15	0.0°	0.1°
C10	C11	C12	H12	180.0°	180.0°
C9	C10	C11	C12	0.0°	0.1°
C10	C9	N15	C13	0.1°	0.1°
C10	C9	C8	N15	179.9°	179.9°
C10	C9	C8	N7	179.9°	179.8°
C10	C9	N15	CU1	179.9°	179.8°
C9	C10	C11	H11	180.0°	180.0°
C10	C9	C8	H2	0.1°	0.3°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	179.8°	180.0°
C11	C12	C13	N15	0.0°	0.2°
C12	C11	C10	H10	180.0°	180.0°
C12	C13	C14	N15	179.8°	179.8°
C12	C13	N15	C9	0.1°	0.2°
C12	C13	N15	CU1	179.9°	179.7°
C13	C12	C11	H11	180.0°	179.9°
C12	C13	C14	H13	180.0°	154.0°
C12	C13	C14	H14	60.0°	34.2°
C12	C13	C14	H15	60.0°	86.0°
C14	C13	N15	C9	179.7°	179.9°
C14	C13	N15	CU1	0.1°	0.1°
C14	C13	C12	H12	0.2°	0.2°
C13	C14	H13	H14	120.0°	120.2°
C13	C14	H13	H15	120.0°	120.2°
C13	C14	H14	H15	120.0°	120.3°
C13	N15	C9	C8	180.0°	180.0°
C13	N15	C9	CU1	179.8°	179.9°
C13	N15	CU1	N7	180.0°	180.0°
C13	N15	CU1	S5	179.1°	179.8°
N15	C13	C12	H12	180.0°	179.9°
N15	C13	C14	H13	0.2°	26.2°
N15	C13	C14	H14	119.9°	146.1°
N15	C13	C14	H15	120.2°	93.8°
C2	N1	C3	C4	178.7°	180.0°
C2	N1	C4	N6	23.5°	179.8°
C2	N1	C4	S5	156.0°	0.3°
N1	C2	H22	H23	120.0°	120.5°
N1	C2	H22	H21	120.0°	120.4°
N1	C2	H23	H21	120.0°	119.5°
C2	N1	C3	H32	180.0°	0.4°
C2	N1	C3	H31	60.0°	120.7°
C2	N1	C3	H30	60.0°	119.9°
C3	N1	C4	N6	157.8°	0.3°
C3	N1	C4	S5	22.7°	179.7°
C3	N1	C2	H22	180.0°	0.2°
C3	N1	C2	H23	60.0°	120.5°
C3	N1	C2	H21	60.0°	120.0°
N1	C3	H32	H31	120.0°	120.5°
N1	C3	H32	H30	120.0°	120.4°
N1	C3	H31	H30	120.0°	119.5°
N1	C4	N6	S5	179.6°	179.9°
N1	C4	N6	N7	179.6°	179.6°
N1	C4	S5	CU1	179.4°	179.7°
C4	N1	C2	H22	1.3°	179.8°
C4	N1	C2	H23	118.8°	59.5°
C4	N1	C2	H21	121.3°	60.0°
C4	N1	C3	H32	1.2°	179.6°
C4	N1	C3	H31	121.3°	59.2°
C4	N1	C3	H30	118.8°	60.2°
N1	C4	N6	H3	0.4°	0.6°
C4	N6	N7	C8	179.8°	179.8°
C4	N6	N7	H3	180.0°	179.8°
C4	N6	N7	CU1	0.3°	0.3°
N6	C4	S5	CU1	0.2°	0.2°
C4	S5	CU1	N15	1.2°	0.0°
S5	C4	N6	N7	0.1°	0.3°
C4	S5	CU1	N7	0.3°	0.1°
S5	C4	N6	H3	179.9°	179.5°
C9	C8	N7	H2	180.0°	179.9°
C8	C9	N15	CU1	0.2°	0.1°
C9	C8	N7	N6	180.0°	180.0°
C9	C8	N7	CU1	0.1°	0.1°
C8	C9	C10	H10	0.1°	0.1°
N7	C8	C9	N15	0.0°	0.1°
C8	N7	CU1	N15	0.2°	0.0°
C8	N7	N6	CU1	179.9°	180.0°
C8	N7	CU1	S5	179.8°	180.0°
C8	N7	N6	H3	0.2°	0.4°
C9	N15	CU1	N7	0.2°	0.1°
C9	N15	CU1	S5	1.1°	0.0°
N15	C9	C10	H10	180.0°	180.0°
N15	C9	C8	H2	180.0°	179.8°
N15	CU1	N7	N6	179.9°	179.9°
N15	CU1	N7	S5	179.6°	180.0°
N6	N7	CU1	S5	0.3°	0.1°
N6	N7	C8	H2	0.0°	0.1°
CU1	N7	C8	H2	179.9°	179.9°
CU1	N7	N6	H3	179.7°	179.6°
H10	C10	C11	H11	0.0°	0.1°
H11	C11	C12	H12	0.0°	0.0°
H13	C14	H14	H15	120.0°	119.6°
H22	C2	H23	H21	120.0°	118.9°
H32	C3	H31	H30	119.9°	118.9°

Release date:	2018-09-05
Definition date:	2017-11-14
Last modified:	2026-09-16
Release status:	REL
Processing site:	RCSB
Derived from:	5YB1